2-methylidene-1H-pyrimidin-4-one

C5H6N2O — CID 45080146

IUPAC2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=CC(=O)N1
InChIInChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3,6H,1H2,(H,7,8)
InChIKeyQQMLVBHPZKYZLA-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.31
Rot. Bonds

About 2-methylidene-1H-pyrimidin-4-one

2-methylidene-1H-pyrimidin-4-one (PubChem CID 45080146) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-methylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2-methylidene-1H-pyrimidin-4-one
PubChem CID45080146
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=CC(=O)N1
InChIInChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3,6H,1H2,(H,7,8)
InChIKeyQQMLVBHPZKYZLA-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1H-pyrimidin-4-one?
The IUPAC name of 2-methylidene-1H-pyrimidin-4-one (CID 45080146) is 2-methylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 2-methylidene-1H-pyrimidin-4-one?
The canonical SMILES for 2-methylidene-1H-pyrimidin-4-one is C=C1NC=CC(=O)N1.
What is the InChIKey of 2-methylidene-1H-pyrimidin-4-one?
The InChIKey is QQMLVBHPZKYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3,6H,1H2,(H,7,8).
What are the key properties of 2-methylidene-1H-pyrimidin-4-one?
2-methylidene-1H-pyrimidin-4-one has a molecular weight of 110.12 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 45080146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).