4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C13H9Cl2FN2 — CID 114453916

IUPAC4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1cc(Cl)cc(-c2nc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C13H9Cl2FN2/c14-8-4-7(5-9(16)6-8)13-17-11-3-1-2-10(11)12(15)18-13/h4-6H,1-3H2
InChIKeyDSGSYRMJFIVESX-UHFFFAOYSA-N
MW283.13 g/mol
LogP4.08
Rot. Bonds1

About 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 114453916) has the molecular formula C13H9Cl2FN2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID114453916
Molecular FormulaC13H9Cl2FN2
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1cc(Cl)cc(-c2nc(Cl)c3c(n2)CCC3)c1
InChIInChI=1S/C13H9Cl2FN2/c14-8-4-7(5-9(16)6-8)13-17-11-3-1-2-10(11)12(15)18-13/h4-6H,1-3H2
InChIKeyDSGSYRMJFIVESX-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 114453916) is 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1cc(Cl)cc(-c2nc(Cl)c3c(n2)CCC3)c1.
What is the InChIKey of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is DSGSYRMJFIVESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2/c14-8-4-7(5-9(16)6-8)13-17-11-3-1-2-10(11)12(15)18-13/h4-6H,1-3H2.
What are the key properties of 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 283.13 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 114453916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).