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

C8H12N2O — CID 126706123

IUPAC3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cncn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-9-5-10(3)8(7)11/h4-6H,1-3H3
InChIKeyCUBXXHSNLMSJSD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.90
Rot. Bonds1

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

3-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 126706123) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID126706123
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cncn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-9-5-10(3)8(7)11/h4-6H,1-3H3
InChIKeyCUBXXHSNLMSJSD-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-5-propan-2-ylpyrimidin-4-one (CID 126706123) is 3-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is CUBXXHSNLMSJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)7-4-9-5-10(3)8(7)11/h4-6H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-ylpyrimidin-4-one?
3-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).