2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C19H27F3N6 — CID 90466273

IUPAC2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(C)Nc1nc(NC(C)C(C)C)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)
InChIKeyOLELDTDOYATLQM-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.87
Rot. Bonds7

About 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 90466273) has the molecular formula C19H27F3N6 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID90466273
Molecular FormulaC19H27F3N6
Molecular Weight396.46 g/mol
Exact Mass396.22
IUPAC Name2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(C)Nc1nc(NC(C)C(C)C)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28)
InChIKeyOLELDTDOYATLQM-UHFFFAOYSA-N
XLogP4.87
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vorasidenib
CID 117817422
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817076
2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 86580656
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817132
6-(6-chloropyridin-2-yl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 117817141
1,3,5-Triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-N2,N4-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-
CID 117817339
AG-881;AG 881; AG881
CID 117817435
N-methyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475711
N-isopropyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475719
4-(3-(Pentan-3-ylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 11703527
2-methyl-6-piperidin-3-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 86342166

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 90466273) is 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)C(C)Nc1nc(NC(C)C(C)C)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OLELDTDOYATLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6/c1-10(2)12(5)23-17-26-16(27-18(28-17)24-13(6)11(3)4)14-8-7-9-15(25-14)19(20,21)22/h7-13H,1-6H3,(H2,23,24,26,27,28).
What are the key properties of 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 396.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methylbutan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90466273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).