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

C5H6N2O — CID 135431249

IUPAC4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]cn1
InChIInChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
InChIKeyLHRIUKSRPHFASO-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.08
Rot. Bonds

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

4-methyl-1H-pyrimidin-6-one (PubChem CID 135431249) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-1H-pyrimidin-6-one
PubChem CID135431249
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]cn1
InChIInChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
InChIKeyLHRIUKSRPHFASO-UHFFFAOYSA-N
XLogP0.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-1H-pyrimidin-6-one (CID 135431249) is 4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]cn1.
What is the InChIKey of 4-methyl-1H-pyrimidin-6-one?
The InChIKey is LHRIUKSRPHFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8).
What are the key properties of 4-methyl-1H-pyrimidin-6-one?
4-methyl-1H-pyrimidin-6-one has a molecular weight of 110.12 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).