5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

C15H16N2O — CID 136910492

IUPAC5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C15H16N2O/c1-10-13(9-11-5-3-2-4-6-11)15(18)17-14(16-10)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,16,17,18)
InChIKeyCVPJIMHPPJHLRR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.55
Rot. Bonds3

About 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136910492) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136910492
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C15H16N2O/c1-10-13(9-11-5-3-2-4-6-11)15(18)17-14(16-10)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,16,17,18)
InChIKeyCVPJIMHPPJHLRR-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
5-benzyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135422583
5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135417579
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
sodium (5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-cyanoazanide
CID 137086831
2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135445386
5-benzyl-2-(4-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 135633224
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 135439347
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135456870
4-[3-(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 155233543
5-benzyl-4-methyl-2-(2-phenoxyethylsulfanyl)-1H-pyrimidin-6-one
CID 135413886
3-(2-benzyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 135973619

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (CID 136910492) is 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is Cc1nc(C2CC2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CVPJIMHPPJHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-13(9-11-5-3-2-4-6-11)15(18)17-14(16-10)12-7-8-12/h2-6,12H,7-9H2,1H3,(H,16,17,18).
What are the key properties of 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136910492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).