4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one

C14H13ClN2O — CID 136955676

IUPAC4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(C3CC3)n2)cc1Cl
InChIInChI=1S/C14H13ClN2O/c1-8-2-3-10(6-11(8)15)12-7-13(18)17-14(16-12)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,16,17,18)
InChIKeyFDGGAMDIJFOQRH-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.28
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136955676) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136955676
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(C3CC3)n2)cc1Cl
InChIInChI=1S/C14H13ClN2O/c1-8-2-3-10(6-11(8)15)12-7-13(18)17-14(16-12)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,16,17,18)
InChIKeyFDGGAMDIJFOQRH-UHFFFAOYSA-N
XLogP3.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
CID 136692579
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-(5-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103242112
2-cyclopropyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692778
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 154787362
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136955676) is 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(C3CC3)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is FDGGAMDIJFOQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-8-2-3-10(6-11(8)15)12-7-13(18)17-14(16-12)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 260.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).