N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H16F3N3 — CID 44821356

IUPACN-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(NC2CCCC2)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-7-10(8-5-6-8)18-12(19-11)17-9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18,19)
InChIKeyLJCAKGJPOUUPGI-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.73
Rot. Bonds3

About N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821356) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821356
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(NC2CCCC2)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)11-7-10(8-5-6-8)18-12(19-11)17-9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18,19)
InChIKeyLJCAKGJPOUUPGI-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821356) is N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(C2CC2)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LJCAKGJPOUUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)11-7-10(8-5-6-8)18-12(19-11)17-9-3-1-2-4-9/h7-9H,1-6H2,(H,17,18,19).
What are the key properties of N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 271.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).