2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C20H25F3N6 — CID 126624842

IUPAC2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)Nc1nc(NC(C)=CC2CC2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C20H25F3N6/c1-4-6-12(2)24-18-27-17(15-7-5-8-16(26-15)20(21,22)23)28-19(29-18)25-13(3)11-14-9-10-14/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H2,24,25,27,28,29)
InChIKeyAEDRXXKFFOSSAY-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.28
Rot. Bonds8

About 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 126624842) has the molecular formula C20H25F3N6 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID126624842
Molecular FormulaC20H25F3N6
Molecular Weight406.46 g/mol
Exact Mass406.21
IUPAC Name2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)Nc1nc(NC(C)=CC2CC2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C20H25F3N6/c1-4-6-12(2)24-18-27-17(15-7-5-8-16(26-15)20(21,22)23)28-19(29-18)25-13(3)11-14-9-10-14/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H2,24,25,27,28,29)
InChIKeyAEDRXXKFFOSSAY-UHFFFAOYSA-N
XLogP5.28
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(1-cyclopropylprop-1-en-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 129049009
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-(pyridin-2-ylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 126624904
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 123967056
methyl 3-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propanoate
CID 122440968
4-N-[(1R)-1-cyclopropylethyl]-2-N-[3-(phosphanylmethyl)oct-7-en-2-yl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 138579975
4-N-(2-adamantyl)-2-N-(1-cyclopropylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123185503
N-[4-(1-cyclopropylideneethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]benzamide
CID 138580029
1-[[4,6-bis[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 122206458
(E)-N-ethenyl-3-[[4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]but-2-enimidoyl cyanide
CID 130328712
4-N-(1-cyclopropylideneethyl)-2-N-(1-phenylcyclopropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 126624847
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
N-[3-[[4-[(4,4-difluorocyclohexyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propyl]-N-propylmethanesulfonamide
CID 155016835

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 126624842) is 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CCCC(C)Nc1nc(NC(C)=CC2CC2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AEDRXXKFFOSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6/c1-4-6-12(2)24-18-27-17(15-7-5-8-16(26-15)20(21,22)23)28-19(29-18)25-13(3)11-14-9-10-14/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H2,24,25,27,28,29).
What are the key properties of 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 406.46 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126624842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).