5-methyl-3-propan-2-ylpyrimidin-4-one

C8H12N2O — CID 123408388

IUPAC5-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1cncn(C(C)C)c1=O
InChIInChI=1S/C8H12N2O/c1-6(2)10-5-9-4-7(3)8(10)11/h4-6H,1-3H3
InChIKeyVQCQFQKQYOKWJE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.13
Rot. Bonds1

About 5-methyl-3-propan-2-ylpyrimidin-4-one

5-methyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 123408388) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-propan-2-ylpyrimidin-4-one
PubChem CID123408388
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1cncn(C(C)C)c1=O
InChIInChI=1S/C8H12N2O/c1-6(2)10-5-9-4-7(3)8(10)11/h4-6H,1-3H3
InChIKeyVQCQFQKQYOKWJE-UHFFFAOYSA-N
XLogP1.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-methyl-3-propan-2-ylpyrimidin-4-one (CID 123408388) is 5-methyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-methyl-3-propan-2-ylpyrimidin-4-one is Cc1cncn(C(C)C)c1=O.
What is the InChIKey of 5-methyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is VQCQFQKQYOKWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-5-9-4-7(3)8(10)11/h4-6H,1-3H3.
What are the key properties of 5-methyl-3-propan-2-ylpyrimidin-4-one?
5-methyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 123408388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).