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2,4,6-Triaminopyrimidine

2,4,6-Triaminopyrimidine structure

CAS No:
1004-38-2
Formula:
C4H7N5
Chemical Name:
2,4,6-Triaminopyrimidine
Synonyms:
2,4,6-Pyrimidinetriamine;Pyrimidine,2,4,6-triamino-;2,4,6-Triaminopyrimidine;NSC 26493;42911-01-3;42911-04-6;42911-03-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

OFF-WHITE TO BEIGE POWDERChEBI: An aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6.

2,4,6-triaminopyrimidine is an aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6.

2,4,6-Triaminopyrimidine Basic Attributes

Molecular Weight：

125.13

Exact Mass：

125.13

BRN：

118448

EC Number：

213-720-7

NSC Number：

26493

DSSTox ID：

DTXSID3061394

HScode：

29335990

Characteristics

PSA：

104

XLogP3：

-0.8

Appearance：

Off-white to beige Powder

Density：

1.2938 (rough estimate)

Melting Point：

249-251 °C

Boiling Point：

222.58°C (rough estimate)

Flash Point：

308.2±18.1 °C

Refractive Index：

1.7100 (estimate)

Water Solubility：

36.5 g/L (20 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

2.39E-11mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 132 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4,6-triaminopyrimidine

2,4,6-Triaminopyrimidine Use and Manufacturing

Methods of Manufacturing

Ethyl cyanoacetate is ammoniated to produce cyanoacetamide, then malononitrile is obtained through elimination reaction, and finally 2, 4, 6-triaminopyrimidine is obtained through cyclization.

Uses

2,4,6-Triaminopyrimidine is an intermediate of the drugs Aminopterin and Aminopterin.

Manufacturing Info：

2,4,6-Pyrimidinetriamine: ACTIVE

Computed Properties

Molecular Weight:125.13
XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:125.07014524
Monoisotopic Mass:125.07014524
Topological Polar Surface Area:104
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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