2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde

C8H8N2O2 — CID 139520422

IUPAC2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde
SMILESC=Cc1nc(=O)cc(C)n1C=O
InChIInChI=1S/C8H8N2O2/c1-3-7-9-8(12)4-6(2)10(7)5-11/h3-5H,1H2,2H3
InChIKeyTUIPKRSDSMYTME-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.23
Rot. Bonds2

About 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde

2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde (PubChem CID 139520422) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde.

Molecular Properties

Compound Name2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde
PubChem CID139520422
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde
SMILESC=Cc1nc(=O)cc(C)n1C=O
InChIInChI=1S/C8H8N2O2/c1-3-7-9-8(12)4-6(2)10(7)5-11/h3-5H,1H2,2H3
InChIKeyTUIPKRSDSMYTME-UHFFFAOYSA-N
XLogP0.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-ethenyl-6-methylpyrimidin-4-one
CID 139520427
4,8-dimethylpyrido[1,2-a]pyrimidin-2-one
CID 599966
6-ethenyl-2,3,4-trimethylpyridine
CID 91244758
5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
CID 143734143
6-methyl-2-(methylamino)-1-phenylpyrimidin-4-one
CID 19754156
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
CID 19754215
2-oxoquinazoline-1-carbaldehyde
CID 88691864
ethene;N-(2-ethenyl-1-methylimidazol-4-yl)formamide
CID 163220857
1-ethenyl-5-fluoro-2-methylindole
CID 167276540
4-ethenyl-1-methylpyridin-2-one
CID 89184460
methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate
CID 143046953
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanal
CID 63768681

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The IUPAC name of 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde (CID 139520422) is 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde.
What is the SMILES notation for 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The canonical SMILES for 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde is C=Cc1nc(=O)cc(C)n1C=O.
What is the InChIKey of 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The InChIKey is TUIPKRSDSMYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-7-9-8(12)4-6(2)10(7)5-11/h3-5H,1H2,2H3.
What are the key properties of 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde?
2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methyl-4-oxopyrimidine-1-carbaldehyde is sourced from PubChem (CID 139520422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).