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

C14H11BrF3N3 — CID 62689493

IUPAC2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21)
InChIKeyIHIYIPCKNPSCLM-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.00
Rot. Bonds1

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

2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62689493) has the molecular formula C14H11BrF3N3 and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62689493
Molecular FormulaC14H11BrF3N3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21)
InChIKeyIHIYIPCKNPSCLM-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 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-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62689493) is 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2ccc(Br)cc2C(F)(F)F)nc2c1CCC2.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is IHIYIPCKNPSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3/c15-7-4-5-8(10(6-7)14(16,17)18)13-20-11-3-1-2-9(11)12(19)21-13/h4-6H,1-3H2,(H2,19,20,21).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 358.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62689493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).