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

C16H16F3N3 — CID 6621133

IUPACN-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)14-10-13(11-6-2-1-3-7-11)21-15(22-14)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H,20,21,22)
InChIKeyXKCZWFRGKRRYNT-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.52
Rot. Bonds3

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

N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 6621133) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID6621133
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)14-10-13(11-6-2-1-3-7-11)21-15(22-14)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H,20,21,22)
InChIKeyXKCZWFRGKRRYNT-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 6621133) is N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XKCZWFRGKRRYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-16(18,19)14-10-13(11-6-2-1-3-7-11)21-15(22-14)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H,20,21,22).
What are the key properties of N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 307.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 6621133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).