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

C13H10ClFN2O — CID 135741822

IUPAC2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1CCC2
InChIInChI=1S/C13H10ClFN2O/c14-7-4-5-10(15)9(6-7)12-16-11-3-1-2-8(11)13(18)17-12/h4-6H,1-3H2,(H,16,17,18)
InChIKeyKZRKCBPELSDOJX-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.72
Rot. Bonds1

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

2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135741822) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135741822
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1CCC2
InChIInChI=1S/C13H10ClFN2O/c14-7-4-5-10(15)9(6-7)12-16-11-3-1-2-8(11)13(18)17-12/h4-6H,1-3H2,(H,16,17,18)
InChIKeyKZRKCBPELSDOJX-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135741822) is 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(-c2cc(Cl)ccc2F)nc2c1CCC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is KZRKCBPELSDOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-7-4-5-10(15)9(6-7)12-16-11-3-1-2-8(11)13(18)17-12/h4-6H,1-3H2,(H,16,17,18).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(5-chloro-2-fluorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 264.69 g/mol, XLogP of 2.72, 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)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135741822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).