6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H15ClF3N3 — CID 106767924

IUPAC6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C
InChIInChI=1S/C12H15ClF3N3/c1-6-3-4-8(7(6)2)17-10-5-9(13)18-11(19-10)12(14,15)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHKRKMBZFTROVSR-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.00
Rot. Bonds2

About 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767924) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767924
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C
InChIInChI=1S/C12H15ClF3N3/c1-6-3-4-8(7(6)2)17-10-5-9(13)18-11(19-10)12(14,15)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHKRKMBZFTROVSR-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767924) is 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1C.
What is the InChIKey of 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HKRKMBZFTROVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-6-3-4-8(7(6)2)17-10-5-9(13)18-11(19-10)12(14,15)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).