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

C21H23F7N6 — CID 90466415

IUPAC2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H23F7N6/c22-19(23)8-4-12(5-9-19)29-17-32-16(14-2-1-3-15(31-14)21(26,27)28)33-18(34-17)30-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(H2,29,30,32,33,34)
InChIKeyLYMZYGUSADHRMY-UHFFFAOYSA-N
MW492.44 g/mol
LogP5.93
Rot. Bonds5

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

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 90466415) has the molecular formula C21H23F7N6 and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID90466415
Molecular FormulaC21H23F7N6
Molecular Weight492.44 g/mol
Exact Mass492.19
IUPAC Name2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H23F7N6/c22-19(23)8-4-12(5-9-19)29-17-32-16(14-2-1-3-15(31-14)21(26,27)28)33-18(34-17)30-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(H2,29,30,32,33,34)
InChIKeyLYMZYGUSADHRMY-UHFFFAOYSA-N
XLogP5.93
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.44
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Vorasidenib
CID 117817422
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-phenyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1478450
N-methyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475711
N-isopropyl-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine
CID 1475719
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
6-(4,6-bis((R)-1-cyclopropylethylamino)-1,3,5-triazin-2-yl) picolinonitrile
CID 90466128

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 90466415) is 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is FC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.
What is the InChIKey of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LYMZYGUSADHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F7N6/c22-19(23)8-4-12(5-9-19)29-17-32-16(14-2-1-3-15(31-14)21(26,27)28)33-18(34-17)30-13-6-10-20(24,25)11-7-13/h1-3,12-13H,4-11H2,(H2,29,30,32,33,34).
What are the key properties of 2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 492.44 g/mol, XLogP of 5.93, 5 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(4,4-difluorocyclohexyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90466415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).