3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol

C19H18F3N7O — CID 157408329

IUPAC3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(O)C3)n2)n1
InChIInChI=1S/C19H18F3N7O/c1-11-4-3-5-13(24-11)15-26-16(28-17(27-15)29-9-18(2,30)10-29)25-12-6-7-23-14(8-12)19(20,21)22/h3-8,30H,9-10H2,1-2H3,(H,23,25,26,27,28)
InChIKeyBNZGQWUNZBUFMQ-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.97
Rot. Bonds4

About 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol

3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol (PubChem CID 157408329) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
PubChem CID157408329
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(O)C3)n2)n1
InChIInChI=1S/C19H18F3N7O/c1-11-4-3-5-13(24-11)15-26-16(28-17(27-15)29-9-18(2,30)10-29)25-12-6-7-23-14(8-12)19(20,21)22/h3-8,30H,9-10H2,1-2H3,(H,23,25,26,27,28)
InChIKeyBNZGQWUNZBUFMQ-UHFFFAOYSA-N
XLogP2.97
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol 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

Enasidenib
CID 89683805
Enasidenib Mesylate
CID 90480031
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[6-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725962
VPS34 inhibitor 1
CID 67983918
N-phenyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1478450
2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 89684116
2-N-[(2-methylpropan-2-yl)oxy]-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 134197864
2-Methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-2-ol
CID 134561925
2-N-ethoxy-4-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 134561926
2-N-(cyclopropylmethoxy)-4-N-[2-(trifluoromethyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
CID 134561947
2-Methyl-1-[[4-(pyridin-4-ylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 162668503
1-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 53308744

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol (CID 157408329) is 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol is Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(O)C3)n2)n1.
What is the InChIKey of 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The InChIKey is BNZGQWUNZBUFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c1-11-4-3-5-13(24-11)15-26-16(28-17(27-15)29-9-18(2,30)10-29)25-12-6-7-23-14(8-12)19(20,21)22/h3-8,30H,9-10H2,1-2H3,(H,23,25,26,27,28).
What are the key properties of 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol has a molecular weight of 417.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol is sourced from PubChem (CID 157408329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).