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

C13H10ClFN2O — CID 135975531

IUPAC2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C13H10ClFN2O/c14-9-5-8(3-4-10(9)15)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18)
InChIKeyJPGWCVZQKLHDQM-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.11
Rot. Bonds2

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

2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 135975531) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID135975531
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C13H10ClFN2O/c14-9-5-8(3-4-10(9)15)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18)
InChIKeyJPGWCVZQKLHDQM-UHFFFAOYSA-N
XLogP3.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one (CID 135975531) is 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(-c2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is JPGWCVZQKLHDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-9-5-8(3-4-10(9)15)13-16-11(7-1-2-7)6-12(18)17-13/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 264.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135975531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).