2-ethyl-3H-pyrimidin-4-one

HCID 295880
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Basic information

CAS
14331-50-1
Standard SMILES
CCc1nccc(=O)[nH]1
InChIKey
OFPWIXYGAJDWPC-UHFFFAOYSA-N
Molecular formula
C6H8N2O
Average molar mass
124.14 g/mol
Monoisotopic mass
124.06366288

Names & identifiers

Preferred name
2-ethyl-3H-pyrimidin-4-one
IUPAC
2-ethyl-1H-pyrimidin-6-one
English name
4(1H)-Pyrimidinone, 2-ethyl- (9CI)
Molecular formula
C6H8N2O
Molecular weight
124.14

Names & synonyms

14331-50-12-Ethylpyrimidin-4-ol2-ethyl-3H-pyrimidin-4-one4-HYDROXY-2-ETHYLPYRIMIDINE2-ethyl-1H-pyrimidin-6-one2-Ethyl-4(3H)-pyrimidinone4(1H)-Pyrimidinone, 2-ethyl- (9CI)MFCD12032630NSC1655022-ethyl-4-pyrimidinol2-Ethylpyrimidin-4(3H)-oneSCHEMBL2633102
Show more names
4(3H)-Pyrimidinone, 2-ethyl-4-Hydroxy-2-Ethylpyrimidine(WXC04103)
SCHEMBL3823910SCHEMBL8579594DTXSID00304353OFPWIXYGAJDWPC-UHFFFAOYSA-NPAA33150AKOS009845215AKOS015946958NSC-165502

Database identifiers

CAS
14331-50-1
PubChem CID
295880
DTXSID
DTXSID00304353

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
116 °C · 116 °C
Density
1.16 · 1.16±0.1 g/cm3(Predicted)
pka
9.39 · 9.39±0.40(Predicted)

Chemistry & industry

Suppliers13 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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