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

C14H12F3N3 — CID 62203661

IUPAC2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H12F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1-2,4,6H,3,5,7H2,(H2,18,19,20)
InChIKeySQCBWELLYARDAG-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.23
Rot. Bonds1

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

2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62203661) has the molecular formula C14H12F3N3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62203661
Molecular FormulaC14H12F3N3
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2C(F)(F)F)nc2c1CCC2
InChIInChI=1S/C14H12F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1-2,4,6H,3,5,7H2,(H2,18,19,20)
InChIKeySQCBWELLYARDAG-UHFFFAOYSA-N
XLogP3.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62203661) is 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Nc1nc(-c2ccccc2C(F)(F)F)nc2c1CCC2.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SQCBWELLYARDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3/c15-14(16,17)10-6-2-1-4-8(10)13-19-11-7-3-5-9(11)12(18)20-13/h1-2,4,6H,3,5,7H2,(H2,18,19,20).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 279.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62203661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).