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

C13H12FN3 — CID 13121212

IUPACN-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C13H12FN3/c14-9-4-6-10(7-5-9)17-13-11-2-1-3-12(11)15-8-16-13/h4-8H,1-3H2,(H,15,16,17)
InChIKeyOZZPXKTXAWDURX-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.85
Rot. Bonds2

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

N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 13121212) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID13121212
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC NameN-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3c2CCC3)cc1
InChIInChI=1S/C13H12FN3/c14-9-4-6-10(7-5-9)17-13-11-2-1-3-12(11)15-8-16-13/h4-8H,1-3H2,(H,15,16,17)
InChIKeyOZZPXKTXAWDURX-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 13121212) is N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3c2CCC3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is OZZPXKTXAWDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-9-4-6-10(7-5-9)17-13-11-2-1-3-12(11)15-8-16-13/h4-8H,1-3H2,(H,15,16,17).
What are the key properties of N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 229.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 13121212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).