2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

C12H18N2O — CID 58286760

IUPAC2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CC2CC2)n(C)c1=O
InChIInChI=1S/C12H18N2O/c1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h7-9H,4-6H2,1-3H3
InChIKeyDHEOPJIYYDKZAQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.86
Rot. Bonds3

About 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 58286760) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID58286760
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CC2CC2)n(C)c1=O
InChIInChI=1S/C12H18N2O/c1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h7-9H,4-6H2,1-3H3
InChIKeyDHEOPJIYYDKZAQ-UHFFFAOYSA-N
XLogP1.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (CID 58286760) is 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cnc(CC2CC2)n(C)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is DHEOPJIYYDKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 58286760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).