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2(1H)-Pyrimidinone

2(1H)-Pyrimidinone structure

CAS No:
557-01-7
Formula:
C4H4N2O
Chemical Name:
2(1H)-Pyrimidinone
Synonyms:
2(1H)-Pyrimidinone;2-Oxopyrimidine;2-Pyrimidone;2-Hydroxypyrimidine;2-Pyrimidinol;2-Pyrimidinone;2(1H)-Pyrimidone;1,2-Dihydropyrimidin-2-one;NSC 618280;1H-Pyrimidin-2-one;2209-57-6
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Pyrimidin-2-ol is the hydroxypyrimidine that is pyrimidine mono-substituted at C-2 by a hydroxy group. It has a role as a Lewis base and an electron donor.

2(1H)-Pyrimidinone Basic Attributes

Molecular Weight：

96.09

Exact Mass：

96.09

EC Number：

209-149-8

UNII：

13K708ILY4

NSC Number：

618280

DSSTox ID：

DTXSID4060315

Characteristics

PSA：

41.5

XLogP3：

-1.76

Density：

1.3±0.1 g/cm3

Melting Point：

177-178 °C @ Solvent: Ethyl acetate

Boiling Point：

309.2±25.0 °C at 760 mmHg

Flash Point：

140.8±23.2 °C

Refractive Index：

1.568

Water Solubility：

4.73 M

Safety Information

hazard class code：

36/37/38-40

safety instructions：

22-26-36

Marks：

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-hydroxypyrimidine

2(1H)-Pyrimidinone Use and Manufacturing

Manufacturing Info：

2(1H)-Pyrimidinone: INACTIVE

Computed Properties

Molecular Weight:96.09
XLogP3:-1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:96.032362755
Monoisotopic Mass:96.032362755
Topological Polar Surface Area:41.5
Heavy Atom Count:7
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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