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

C21H19F7N6 — CID 154348543

IUPAC4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESNC1(C2CCC(F)(F)CC2)N=C(Nc2cc(F)cc(F)c2)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C21H19F7N6/c22-12-8-13(23)10-14(9-12)30-18-32-17(15-2-1-3-16(31-15)20(26,27)28)33-21(29,34-18)11-4-6-19(24,25)7-5-11/h1-3,8-11H,4-7,29H2,(H2,30,32,33,34)
InChIKeyOSYUBDPYTSZNII-UHFFFAOYSA-N
MW488.41 g/mol
LogP4.63
Rot. Bonds3

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

4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 154348543) has the molecular formula C21H19F7N6 and a molecular weight of 488.41 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID154348543
Molecular FormulaC21H19F7N6
Molecular Weight488.41 g/mol
Exact Mass488.16
IUPAC Name4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESNC1(C2CCC(F)(F)CC2)N=C(Nc2cc(F)cc(F)c2)NC(c2cccc(C(F)(F)F)n2)=N1
InChIInChI=1S/C21H19F7N6/c22-12-8-13(23)10-14(9-12)30-18-32-17(15-2-1-3-16(31-15)20(26,27)28)33-21(29,34-18)11-4-6-19(24,25)7-5-11/h1-3,8-11H,4-7,29H2,(H2,30,32,33,34)
InChIKeyOSYUBDPYTSZNII-UHFFFAOYSA-N
XLogP4.63
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(4,4-difluorocyclohexyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154288348
4-(3,3-difluorocyclopentyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154292445
2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152753865
2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152759055
4-[(1S)-3,3-difluorocyclopentyl]-2-[(1S)-3,3-difluorocyclopentyl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 158950077
4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 154307486
4-cyclobutyl-2-N-(6-fluoro-3-pyridinyl)-6-pyridin-2-yl-1H-1,3,5-triazine-2,4-diamine
CID 152757593
2-N,4-N-di(propan-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,4-dihydro-1,3,5-triazine-2,4-diamine
CID 162596571
ethane;3-fluoro-5-[[4-[(4-fluoro-4-methylcyclohexyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]benzonitrile;molecular hydrogen
CID 144771018
4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 152755443
4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 159428406
2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
CID 144770922

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (CID 154348543) is 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is NC1(C2CCC(F)(F)CC2)N=C(Nc2cc(F)cc(F)c2)NC(c2cccc(C(F)(F)F)n2)=N1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is OSYUBDPYTSZNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F7N6/c22-12-8-13(23)10-14(9-12)30-18-32-17(15-2-1-3-16(31-15)20(26,27)28)33-21(29,34-18)11-4-6-19(24,25)7-5-11/h1-3,8-11H,4-7,29H2,(H2,30,32,33,34).
What are the key properties of 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 488.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154348543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).