N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine

C13H18F3N3 — CID 60732091

IUPACN-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCC(Nc2nccc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H18F3N3/c1-8-4-3-5-10(9(8)2)18-12-17-7-6-11(19-12)13(14,15)16/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyUMCQJCPLRWCKMB-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.73
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60732091) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60732091
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCC(Nc2nccc(C(F)(F)F)n2)C1C
InChIInChI=1S/C13H18F3N3/c1-8-4-3-5-10(9(8)2)18-12-17-7-6-11(19-12)13(14,15)16/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyUMCQJCPLRWCKMB-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 60732091) is N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1CCCC(Nc2nccc(C(F)(F)F)n2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UMCQJCPLRWCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-8-4-3-5-10(9(8)2)18-12-17-7-6-11(19-12)13(14,15)16/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60732091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).