6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H13ClF3N3 — CID 106767917

IUPAC6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H13ClF3N3/c1-10(4-2-3-5-10)18-8-6-7(12)16-9(17-8)11(13,14)15/h6H,2-5H2,1H3,(H,16,17,18)
InChIKeyHSZSJECPMJHFKY-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.89
Rot. Bonds2

About 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767917) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767917
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H13ClF3N3/c1-10(4-2-3-5-10)18-8-6-7(12)16-9(17-8)11(13,14)15/h6H,2-5H2,1H3,(H,16,17,18)
InChIKeyHSZSJECPMJHFKY-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767917) is 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1(Nc2cc(Cl)nc(C(F)(F)F)n2)CCCC1.
What is the InChIKey of 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HSZSJECPMJHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-10(4-2-3-5-10)18-8-6-7(12)16-9(17-8)11(13,14)15/h6H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 279.69 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).