5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H12F3N3 — CID 90747069

IUPAC5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)ncc1C1CCCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(8(14)16-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,14,15,16)
InChIKeyHGVBCYHQSLWJQG-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.74
Rot. Bonds1

About 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine

5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 90747069) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID90747069
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)ncc1C1CCCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(8(14)16-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,14,15,16)
InChIKeyHGVBCYHQSLWJQG-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 90747069) is 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(C(F)(F)F)ncc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HGVBCYHQSLWJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-15-5-7(8(14)16-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,14,15,16).
What are the key properties of 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine?
5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 90747069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).