2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H18F3N3O — CID 102719330

IUPAC2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC2(C)CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-12(3-5-20-6-4-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySXPWGKDAYFTMTI-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.12
Rot. Bonds3

About 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719330) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719330
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC2(C)CCOCC2)n1
InChIInChI=1S/C13H18F3N3O/c1-12(3-5-20-6-4-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySXPWGKDAYFTMTI-UHFFFAOYSA-N
XLogP3.12
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718696
2-N-methyl-6-N-morpholin-4-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719094
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719321
2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717637
[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 102719028
6-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102718440
2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113486258
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
N-methyl-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717162

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719330) is 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NC2(C)CCOCC2)n1.
What is the InChIKey of 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is SXPWGKDAYFTMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-12(3-5-20-6-4-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 289.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).