4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H9ClF2N2 — CID 89343072

IUPAC4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(F)c(-c2nc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C13H9ClF2N2/c14-12-8-2-1-3-11(8)17-13(18-12)9-6-7(15)4-5-10(9)16/h4-6H,1-3H2
InChIKeyIJUHNYNQIQRVDP-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.56
Rot. Bonds1

About 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 89343072) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID89343072
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(F)c(-c2nc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C13H9ClF2N2/c14-12-8-2-1-3-11(8)17-13(18-12)9-6-7(15)4-5-10(9)16/h4-6H,1-3H2
InChIKeyIJUHNYNQIQRVDP-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 89343072) is 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(F)c(-c2nc(Cl)c3c(n2)CCC3)c1.
What is the InChIKey of 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is IJUHNYNQIQRVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-12-8-2-1-3-11(8)17-13(18-12)9-6-7(15)4-5-10(9)16/h4-6H,1-3H2.
What are the key properties of 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 266.68 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 89343072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).