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

C20H16ClFN2O — CID 10043738

IUPAC2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3c2CCC3)cc1
InChIInChI=1S/C20H16ClFN2O/c21-15-8-6-14(7-9-15)19-23-18-3-1-2-17(18)20(24-19)25-12-13-4-10-16(22)11-5-13/h4-11H,1-3,12H2
InChIKeyOBMLQMKSKYOYHN-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.00
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 10043738) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID10043738
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3c2CCC3)cc1
InChIInChI=1S/C20H16ClFN2O/c21-15-8-6-14(7-9-15)19-23-18-3-1-2-17(18)20(24-19)25-12-13-4-10-16(22)11-5-13/h4-11H,1-3,12H2
InChIKeyOBMLQMKSKYOYHN-UHFFFAOYSA-N
XLogP5.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-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 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 10043738) is 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(COc2nc(-c3ccc(Cl)cc3)nc3c2CCC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is OBMLQMKSKYOYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-15-8-6-14(7-9-15)19-23-18-3-1-2-17(18)20(24-19)25-12-13-4-10-16(22)11-5-13/h4-11H,1-3,12H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 354.81 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 10043738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).