4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C7H6ClFN2 — CID 19968899

IUPAC4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1CCc2c(Cl)ncnc21
InChIInChI=1S/C7H6ClFN2/c8-7-4-1-2-5(9)6(4)10-3-11-7/h3,5H,1-2H2
InChIKeyAPGBZQMJXHPZAF-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.09
Rot. Bonds

About 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 19968899) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID19968899
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC1CCc2c(Cl)ncnc21
InChIInChI=1S/C7H6ClFN2/c8-7-4-1-2-5(9)6(4)10-3-11-7/h3,5H,1-2H2
InChIKeyAPGBZQMJXHPZAF-UHFFFAOYSA-N
XLogP2.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-7-fluoro-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-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 19968899) is 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC1CCc2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is APGBZQMJXHPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-7-4-1-2-5(9)6(4)10-3-11-7/h3,5H,1-2H2.
What are the key properties of 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 172.59 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 19968899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).