5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one

C13H12ClFN2O — CID 11601414

IUPAC5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C13H12ClFN2O/c1-7(2)11-10(14)12(17-13(18)16-11)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,16,17,18)
InChIKeySVBOEHREPWPHKA-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one

5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 11601414) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID11601414
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C13H12ClFN2O/c1-7(2)11-10(14)12(17-13(18)16-11)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,16,17,18)
InChIKeySVBOEHREPWPHKA-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one (CID 11601414) is 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1[nH]c(=O)nc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is SVBOEHREPWPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7(2)11-10(14)12(17-13(18)16-11)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one?
5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 266.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 11601414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).