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

C13H9ClF2N2 — CID 154462822

IUPAC2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(C2CCc3cnc(Cl)nc32)c(F)c1
InChIInChI=1S/C13H9ClF2N2/c14-13-17-6-7-1-3-10(12(7)18-13)9-4-2-8(15)5-11(9)16/h2,4-6,10H,1,3H2
InChIKeyBGETVSZMYAMLPC-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.49
Rot. Bonds1

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

2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 154462822) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID154462822
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(C2CCc3cnc(Cl)nc32)c(F)c1
InChIInChI=1S/C13H9ClF2N2/c14-13-17-6-7-1-3-10(12(7)18-13)9-4-2-8(15)5-11(9)16/h2,4-6,10H,1,3H2
InChIKeyBGETVSZMYAMLPC-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 154462822) is 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(C2CCc3cnc(Cl)nc32)c(F)c1.
What is the InChIKey of 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BGETVSZMYAMLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-13-17-6-7-1-3-10(12(7)18-13)9-4-2-8(15)5-11(9)16/h2,4-6,10H,1,3H2.
What are the key properties of 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 266.68 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2,4-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 154462822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).