1-methyl-4-methylidenepyrimidin-2-one

C6H8N2O — CID 58762181

IUPAC1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1C=CN(C)C(=O)N1
InChIInChI=1S/C6H8N2O/c1-5-3-4-8(2)6(9)7-5/h3-4H,1H2,2H3,(H,7,9)
InChIKeyGWRUAKMEMKVJPK-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About 1-methyl-4-methylidenepyrimidin-2-one

1-methyl-4-methylidenepyrimidin-2-one (PubChem CID 58762181) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-methyl-4-methylidenepyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-methylidenepyrimidin-2-one
PubChem CID58762181
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1C=CN(C)C(=O)N1
InChIInChI=1S/C6H8N2O/c1-5-3-4-8(2)6(9)7-5/h3-4H,1H2,2H3,(H,7,9)
InChIKeyGWRUAKMEMKVJPK-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenepyrimidin-2-one?
The IUPAC name of 1-methyl-4-methylidenepyrimidin-2-one (CID 58762181) is 1-methyl-4-methylidenepyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-methylidenepyrimidin-2-one?
The canonical SMILES for 1-methyl-4-methylidenepyrimidin-2-one is C=C1C=CN(C)C(=O)N1.
What is the InChIKey of 1-methyl-4-methylidenepyrimidin-2-one?
The InChIKey is GWRUAKMEMKVJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-4-8(2)6(9)7-5/h3-4H,1H2,2H3,(H,7,9).
What are the key properties of 1-methyl-4-methylidenepyrimidin-2-one?
1-methyl-4-methylidenepyrimidin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenepyrimidin-2-one is sourced from PubChem (CID 58762181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).