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

C11H14F3N3O — CID 64584318

IUPACN-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-8-4-2-3-7(8)16-10-15-6-5-9(17-10)11(12,13)14/h5-8H,2-4H2,1H3,(H,15,16,17)
InChIKeyHFCOZVYBEALVQW-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.47
Rot. Bonds3

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

N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64584318) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64584318
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1CCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-8-4-2-3-7(8)16-10-15-6-5-9(17-10)11(12,13)14/h5-8H,2-4H2,1H3,(H,15,16,17)
InChIKeyHFCOZVYBEALVQW-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 64584318) is N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is COC1CCCC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HFCOZVYBEALVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-8-4-2-3-7(8)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-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64584318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).