2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H12ClFN2O — CID 135598597

IUPAC2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCC1CCc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c21
InChIInChI=1S/C14H12ClFN2O/c1-7-2-5-11-12(7)14(19)18-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeyOJXPUFDRTNXPNC-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.28
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135598597) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135598597
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCC1CCc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c21
InChIInChI=1S/C14H12ClFN2O/c1-7-2-5-11-12(7)14(19)18-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19)
InChIKeyOJXPUFDRTNXPNC-UHFFFAOYSA-N
XLogP3.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389
2-(3-Chloro-phenyl)-6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-ol
CID 784616
2-(3-chloro-4-fluorophenyl)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135473108
2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 135418978
2-(2-Fluoro-phenyl)-5,6,7,8-tetrahydro-quinazolin-4-ol
CID 135453191
5-Butyl-2-(4-chlorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135419066
3-chloro-4-fluoro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
CID 86787048
2-(4-chloro-3-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 55218177
2-(5-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 57898602
2-(5-chloro-2-fluorophenyl)-5-cyclopentyl-1H-pyrimidin-6-one
CID 57898603
2-(5-chloro-2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 60071148

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135598597) is 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CC1CCc2nc(-c3cc(Cl)ccc3F)[nH]c(=O)c21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is OJXPUFDRTNXPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-7-2-5-11-12(7)14(19)18-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,2,5H2,1H3,(H,17,18,19).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 278.71 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135598597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).