5-ethenyl-4-methyl-1H-pyrimidin-6-one

C7H8N2O — CID 142197418

IUPAC5-ethenyl-4-methyl-1H-pyrimidin-6-one
SMILESC=Cc1c(C)nc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyJFHIFTSYZCWTBU-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.72
Rot. Bonds1

About 5-ethenyl-4-methyl-1H-pyrimidin-6-one

5-ethenyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 142197418) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethenyl-4-methyl-1H-pyrimidin-6-one
PubChem CID142197418
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-ethenyl-4-methyl-1H-pyrimidin-6-one
SMILESC=Cc1c(C)nc[nH]c1=O
InChIInChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyJFHIFTSYZCWTBU-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;propane
CID 142610528
4-methyl-5-[(Z)-2-(methylideneamino)ethenyl]-1H-pyrimidin-6-one
CID 137282295
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135422502
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrimidin-6-one
CID 137304954
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
5-ethylidene-4-methylidene-1H-pyrimidin-6-one
CID 137097267
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one
CID 142390852
4-methyl-5-(1-propan-2-ylcyclopropyl)-1H-pyrimidin-6-one
CID 176962482
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
CID 136769791

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethenyl-4-methyl-1H-pyrimidin-6-one (CID 142197418) is 5-ethenyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethenyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethenyl-4-methyl-1H-pyrimidin-6-one is C=Cc1c(C)nc[nH]c1=O.
What is the InChIKey of 5-ethenyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JFHIFTSYZCWTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,1H2,2H3,(H,8,9,10).
What are the key properties of 5-ethenyl-4-methyl-1H-pyrimidin-6-one?
5-ethenyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 136.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142197418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).