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

C21H19F6N7O — CID 134197873

IUPAC2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C21H19F6N7O/c1-19(2,35)11-9-34(10-11)18-32-16(13-4-3-5-14(30-13)20(22,23)24)31-17(33-18)29-12-6-7-28-15(8-12)21(25,26)27/h3-8,11,35H,9-10H2,1-2H3,(H,28,29,31,32,33)
InChIKeyMQPYRAQWYVRSQQ-UHFFFAOYSA-N
MW499.42 g/mol
LogP4.32
Rot. Bonds5

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

2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol (PubChem CID 134197873) has the molecular formula C21H19F6N7O and a molecular weight of 499.42 g/mol. Its IUPAC name is 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
PubChem CID134197873
Molecular FormulaC21H19F6N7O
Molecular Weight499.42 g/mol
Exact Mass499.16
IUPAC Name2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C21H19F6N7O/c1-19(2,35)11-9-34(10-11)18-32-16(13-4-3-5-14(30-13)20(22,23)24)31-17(33-18)29-12-6-7-28-15(8-12)21(25,26)27/h3-8,11,35H,9-10H2,1-2H3,(H,28,29,31,32,33)
InChIKeyMQPYRAQWYVRSQQ-UHFFFAOYSA-N
XLogP4.32
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol (CID 134197873) is 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol is CC(C)(O)C1CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol?
The InChIKey is MQPYRAQWYVRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N7O/c1-19(2,35)11-9-34(10-11)18-32-16(13-4-3-5-14(30-13)20(22,23)24)31-17(33-18)29-12-6-7-28-15(8-12)21(25,26)27/h3-8,11,35H,9-10H2,1-2H3,(H,28,29,31,32,33).
What are the key properties of 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol?
2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol has a molecular weight of 499.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 134197873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).