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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Related Compounds

6-chloro-N-(1-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546866
2-N-methyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718696
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
CID 115875734
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113486258
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772050
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766967

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).