1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol

C24H42N10O4 — CID 54135520

IUPAC1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NCC(C)O)nc(C2CCCC(c3nc(NCC(C)O)nc(NCC(C)O)n3)C2)n1
InChIInChI=1S/C24H42N10O4/c1-13(35)9-25-21-29-19(30-22(33-21)26-10-14(2)36)17-6-5-7-18(8-17)20-31-23(27-11-15(3)37)34-24(32-20)28-12-16(4)38/h13-18,35-38H,5-12H2,1-4H3,(H2,25,26,29,30,33)(H2,27,28,31,32,34)
InChIKeyNXKJALMCOVVWKU-UHFFFAOYSA-N
MW534.67 g/mol
LogP0.67
Rot. Bonds14

About 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol

1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 54135520) has the molecular formula C24H42N10O4 and a molecular weight of 534.67 g/mol. Its IUPAC name is 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
PubChem CID54135520
Molecular FormulaC24H42N10O4
Molecular Weight534.67 g/mol
Exact Mass534.34
IUPAC Name1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(NCC(C)O)nc(C2CCCC(c3nc(NCC(C)O)nc(NCC(C)O)n3)C2)n1
InChIInChI=1S/C24H42N10O4/c1-13(35)9-25-21-29-19(30-22(33-21)26-10-14(2)36)17-6-5-7-18(8-17)20-31-23(27-11-15(3)37)34-24(32-20)28-12-16(4)38/h13-18,35-38H,5-12H2,1-4H3,(H2,25,26,29,30,33)(H2,27,28,31,32,34)
InChIKeyNXKJALMCOVVWKU-UHFFFAOYSA-N
XLogP0.67
TPSA206.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 50.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[[4-Amino-6-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 18926678
3-[[4-[4-[4,6-Bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 19034506
2-[[4-[2-[4,6-Bis(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 19034509
1-[[4-[5-[4-Amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 53653774
1-[[4-Amino-6-[6-[4-amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 53662039
2-[2-[[4-[4-[4-Amino-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 53686404
2-[[4-Amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 53820419
2-[2-[[4-[4-(4,6-Diamino-1,3,5-triazin-2-yl)cyclohexyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 53879374
2-[[4-[6-[4-Amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 53895010
1-[[4-Amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 53925430
3-[[4-Amino-6-[4-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 53932364
2-[[4-[5-[4,6-Bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 53933000

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 54135520) is 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1nc(NCC(C)O)nc(C2CCCC(c3nc(NCC(C)O)nc(NCC(C)O)n3)C2)n1.
What is the InChIKey of 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
The InChIKey is NXKJALMCOVVWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N10O4/c1-13(35)9-25-21-29-19(30-22(33-21)26-10-14(2)36)17-6-5-7-18(8-17)20-31-23(27-11-15(3)37)34-24(32-20)28-12-16(4)38/h13-18,35-38H,5-12H2,1-4H3,(H2,25,26,29,30,33)(H2,27,28,31,32,34).
What are the key properties of 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol?
1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 534.67 g/mol, XLogP of 0.67, 14 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[4,6-bis(2-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 54135520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).