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1,3-Dimethyluracil

1,3-Dimethyluracil structure

CAS No:
874-14-6
Formula:
C6H8N2O2
Chemical Name:
1,3-Dimethyluracil
Synonyms:
2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-;Uracil,1,3-dimethyl-;1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione;1,3-Dimethyluracil;N,N′-Dimethyluracil;N1,N3-Dimethyluracil;1,3-Dimethyl-2,4-pyrimidinedione;NSC 401858;1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;1,3-Dimethyl-1H,3H-pyrimidine-2,4-dione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

1,3-Dimethyluracil is a pyrimidone derives from a uracil. 1,3-Dimethyluracil found occasionally in human urine. 1,3-Dimethyluracil shows inhibition activity against hCA I and hCA II (human carbonic anhydrase) with Ki of 316.2 μM and 166.4 μM, respectively[1][2].

Solid

1,3-dimethyluracil is a pyrimidone that is uracil with methyl group substituents at positions 1 and 3. It has a role as a metabolite. It derives from a uracil.

1,3-Dimethyluracil Basic Attributes

Molecular Weight：

140.142

Exact Mass：

140.14

EC Number：

212-856-4

NSC Number：

401858

DSSTox ID：

DTXSID0061244

HScode：

2933599090

Characteristics

PSA：

40.6

XLogP3：

-0.5

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

120 °C

Boiling Point：

208.4°C at 760 mmHg

Flash Point：

84.3±15.0 °C

Refractive Index：

1.519

Water Solubility：

almost transparency

Vapor Pressure：

0.01 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36

safety instructions：

S22-S24/25-S39-S26

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, 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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,3-dimethyluracil

1,3-Dimethyluracil Use and Manufacturing

Manufacturing Info：

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:140.14
XLogP3:-0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:140.058577502
Monoisotopic Mass:140.058577502
Topological Polar Surface Area:40.6
Heavy Atom Count:10
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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