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

C20H22F3N7 — CID 123317043

IUPAC2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccnc(C(C)C)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C20H22F3N7/c1-11(2)15-10-13(8-9-24-15)26-19-29-17(28-18(30-19)25-12(3)4)14-6-5-7-16(27-14)20(21,22)23/h5-12H,1-4H3,(H2,24,25,26,28,29,30)
InChIKeyGSYPVBCJFXAEHY-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.03
Rot. Bonds6

About 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

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 (PubChem CID 123317043) has the molecular formula C20H22F3N7 and a molecular weight of 417.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID123317043
Molecular FormulaC20H22F3N7
Molecular Weight417.44 g/mol
Exact Mass417.19
IUPAC Name2-N-propan-2-yl-4-N-(2-propan-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccnc(C(C)C)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C20H22F3N7/c1-11(2)15-10-13(8-9-24-15)26-19-29-17(28-18(30-19)25-12(3)4)14-6-5-7-16(27-14)20(21,22)23/h5-12H,1-4H3,(H2,24,25,26,28,29,30)
InChIKeyGSYPVBCJFXAEHY-UHFFFAOYSA-N
XLogP5.03
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-[2-(difluoromethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 71622873
4-N-[2-(4-chlorophenyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146258670
2-N-(1-methylcyclobutyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264106
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
1,2,2-trifluoro-1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol
CID 175286731
1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]cyclopentan-1-ol
CID 175798155
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
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-(2-methylbutyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146867881
4-N-(3-methoxypropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 122653170
N-(2-methyl-4-pyridinyl)-4-piperidin-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 145445505
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
6-N-[2-(isocyanomethyl)-4-pyridinyl]-4-N-propan-2-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 140720940

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Nc1nc(Nc2ccnc(C(C)C)c2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 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?
The InChIKey is GSYPVBCJFXAEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7/c1-11(2)15-10-13(8-9-24-15)26-19-29-17(28-18(30-19)25-12(3)4)14-6-5-7-16(27-14)20(21,22)23/h5-12H,1-4H3,(H2,24,25,26,28,29,30).
What are the key properties of 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?
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 has a molecular weight of 417.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123317043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).