N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H14F3N3 — CID 63372936

IUPACN-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3/c1-7-3-2-4-8(7)16-10-15-6-5-9(17-10)11(12,13)14/h5-8H,2-4H2,1H3,(H,15,16,17)
InChIKeyIESBHNSGZUNGLY-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.10
Rot. Bonds2

About N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 63372936) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID63372936
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3/c1-7-3-2-4-8(7)16-10-15-6-5-9(17-10)11(12,13)14/h5-8H,2-4H2,1H3,(H,15,16,17)
InChIKeyIESBHNSGZUNGLY-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 63372936) is N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1CCCC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IESBHNSGZUNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7-3-2-4-8(7)16-10-15-6-5-9(17-10)11(12,13)14/h5-8H,2-4H2,1H3,(H,15,16,17).
What are the key properties of N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 245.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 63372936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).