4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

C18H15F5N6O — CID 158035998

IUPAC4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(OCC(C)(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C18H15F5N6O/c1-10-8-11(6-7-24-10)25-15-27-14(28-16(29-15)30-9-17(2,19)20)12-4-3-5-13(26-12)18(21,22)23/h3-8H,9H2,1-2H3,(H,24,25,27,28,29)
InChIKeyTVVYFKVNDGHRIX-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.43
Rot. Bonds6

About 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 158035998) has the molecular formula C18H15F5N6O and a molecular weight of 426.35 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID158035998
Molecular FormulaC18H15F5N6O
Molecular Weight426.35 g/mol
Exact Mass426.12
IUPAC Name4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(OCC(C)(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
InChIInChI=1S/C18H15F5N6O/c1-10-8-11(6-7-24-10)25-15-27-14(28-16(29-15)30-9-17(2,19)20)12-4-3-5-13(26-12)18(21,22)23/h3-8H,9H2,1-2H3,(H,24,25,27,28,29)
InChIKeyTVVYFKVNDGHRIX-UHFFFAOYSA-N
XLogP4.43
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 134197870
1,1,1,3,3,3-hexadeuterio-2-[dideuterio-[[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
CID 129060702
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
N-(2-methyl-4-pyridinyl)-4-piperidin-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 145445505
4-N-(3-methoxypropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 122653170
(3S,4S)-4-fluoro-1-[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 159755143
4-N-[(1-methylcyclobutyl)methyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264107
2-methyl-1-[methyl-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 122677416
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728
2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123317043
2-N-(1-methylcyclobutyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264106
2-methyl-4-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]butan-2-ol
CID 159539389

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (CID 158035998) is 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is Cc1cc(Nc2nc(OCC(C)(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.
What is the InChIKey of 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is TVVYFKVNDGHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N6O/c1-10-8-11(6-7-24-10)25-15-27-14(28-16(29-15)30-9-17(2,19)20)12-4-3-5-13(26-12)18(21,22)23/h3-8H,9H2,1-2H3,(H,24,25,27,28,29).
What are the key properties of 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?
4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 426.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-N-(2-methyl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 158035998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).