2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol

C22H43N7O2 — CID 70586404

IUPAC2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCC(Nc1nc(NC(C)CO)nc(NC(C)CO)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H43N7O2/c1-8-9-17(16-10-21(4,5)29-22(6,7)11-16)25-20-27-18(23-14(2)12-30)26-19(28-20)24-15(3)13-31/h14-17,29-31H,8-13H2,1-7H3,(H3,23,24,25,26,27,28)
InChIKeyBQYHSLFSBPQJKD-UHFFFAOYSA-N
MW437.63 g/mol
LogP2.59
Rot. Bonds11

About 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol

2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 70586404) has the molecular formula C22H43N7O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID70586404
Molecular FormulaC22H43N7O2
Molecular Weight437.63 g/mol
Exact Mass437.35
IUPAC Name2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCC(Nc1nc(NC(C)CO)nc(NC(C)CO)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H43N7O2/c1-8-9-17(16-10-21(4,5)29-22(6,7)11-16)25-20-27-18(23-14(2)12-30)26-19(28-20)24-15(3)13-31/h14-17,29-31H,8-13H2,1-7H3,(H3,23,24,25,26,27,28)
InChIKeyBQYHSLFSBPQJKD-UHFFFAOYSA-N
XLogP2.59
TPSA127.25 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 52.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol with MolForge

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Related Compounds

2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11100275
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746199
2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 14746205
2-[[4,6-Bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 15250401
2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 18993528
6-ethoxy-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19073311
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090174
1-[[4,6-Bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 19090176
2-[[4,6-Bis[1-(2,2,6,6-tetramethyl-1-octadecoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090178
2-[[4,6-Bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19090233
2-[[4,6-Bis[1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 19090243
2-[4-[4-[[4,6-Bis[4-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]butylamino]-1,3,5-triazin-2-yl]amino]butyl]-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
CID 19900898

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 70586404) is 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol is CCCC(Nc1nc(NC(C)CO)nc(NC(C)CO)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is BQYHSLFSBPQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N7O2/c1-8-9-17(16-10-21(4,5)29-22(6,7)11-16)25-20-27-18(23-14(2)12-30)26-19(28-20)24-15(3)13-31/h14-17,29-31H,8-13H2,1-7H3,(H3,23,24,25,26,27,28).
What are the key properties of 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 437.63 g/mol, XLogP of 2.59, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxypropan-2-ylamino)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 70586404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).