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

C13H10ClFN2O — CID 136770507

IUPAC4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(F)ccc2Cl)nc(C2CC2)[nH]1
InChIInChI=1S/C13H10ClFN2O/c14-10-4-3-8(15)5-9(10)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyURBLVDMCLVDABX-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.11
Rot. Bonds2

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

4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136770507) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136770507
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(F)ccc2Cl)nc(C2CC2)[nH]1
InChIInChI=1S/C13H10ClFN2O/c14-10-4-3-8(15)5-9(10)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyURBLVDMCLVDABX-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 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136770507) is 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(-c2cc(F)ccc2Cl)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is URBLVDMCLVDABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-10-4-3-8(15)5-9(10)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-chloro-5-fluorophenyl)-2-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 4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).