4,6-dimethyl-1H-pyrimidin-2-one

C6H8N2O — CID 9508

IUPAC4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
InChIKeyWHEQVHAIRSPYDK-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

About 4,6-dimethyl-1H-pyrimidin-2-one

4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 9508) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID9508
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1cc(C)[nH]c(=O)n1
InChIInChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
InChIKeyWHEQVHAIRSPYDK-UHFFFAOYSA-N
XLogP0.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1H-pyrimidin-2-one (CID 9508) is 4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1H-pyrimidin-2-one is Cc1cc(C)[nH]c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is WHEQVHAIRSPYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9).
What are the key properties of 4,6-dimethyl-1H-pyrimidin-2-one?
4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 9508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).