N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

C13H18F3N3O — CID 106773657

IUPACN-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-8-4-3-5-9(6-8)20-11-7-10(17-2)18-12(19-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyKODUHVYGVIWQSK-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.49
Rot. Bonds3

About N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773657) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773657
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-8-4-3-5-9(6-8)20-11-7-10(17-2)18-12(19-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyKODUHVYGVIWQSK-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773657) is N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OC2CCCC(C)C2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KODUHVYGVIWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-4-3-5-9(6-8)20-11-7-10(17-2)18-12(19-11)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).