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

C13H12FN3 — CID 62190284

IUPAC2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H12FN3/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(11)12(15)17-13/h4-7H,1-3H2,(H2,15,16,17)
InChIKeyZSVMALOEKXVUQA-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.35
Rot. Bonds1

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

2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62190284) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62190284
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H12FN3/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(11)12(15)17-13/h4-7H,1-3H2,(H2,15,16,17)
InChIKeyZSVMALOEKXVUQA-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62190284) is 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2)nc2c1CCC2.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZSVMALOEKXVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-9-6-4-8(5-7-9)13-16-11-3-1-2-10(11)12(15)17-13/h4-7H,1-3H2,(H2,15,16,17).
What are the key properties of 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 229.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62190284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).