2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

C15H14ClFN2O2 — CID 115926288

IUPAC2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14ClFN2O2/c16-10-7-9(5-6-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyMNWGCJWCVNNCCN-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926288) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926288
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(F)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14ClFN2O2/c16-10-7-9(5-6-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyMNWGCJWCVNNCCN-UHFFFAOYSA-N
XLogP3.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 115926288) is 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(F)c(Cl)c2)nc(O)c1C1CCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MNWGCJWCVNNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-10-7-9(5-6-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 308.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).