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

C13H10ClFN2 — CID 59362945

IUPAC4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C13H10ClFN2/c14-12-10-2-1-3-11(10)16-13(17-12)8-4-6-9(15)7-5-8/h4-7H,1-3H2
InChIKeyBJILNIDHCMYCLS-UHFFFAOYSA-N
MW248.69 g/mol
LogP3.42
Rot. Bonds1

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

4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 59362945) has the molecular formula C13H10ClFN2 and a molecular weight of 248.69 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID59362945
Molecular FormulaC13H10ClFN2
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC Name4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3c(n2)CCC3)cc1
InChIInChI=1S/C13H10ClFN2/c14-12-10-2-1-3-11(10)16-13(17-12)8-4-6-9(15)7-5-8/h4-7H,1-3H2
InChIKeyBJILNIDHCMYCLS-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 59362945) is 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Fc1ccc(-c2nc(Cl)c3c(n2)CCC3)cc1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BJILNIDHCMYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2/c14-12-10-2-1-3-11(10)16-13(17-12)8-4-6-9(15)7-5-8/h4-7H,1-3H2.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 248.69 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59362945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).