2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol

C18H30N10O3 — CID 54565156

IUPAC2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(C2CCC(c3nc(NCCO)nc(NCCO)n3)CC2)n1
InChIInChI=1S/C18H30N10O3/c19-15-23-13(24-16(27-15)20-5-8-29)11-1-3-12(4-2-11)14-25-17(21-6-9-30)28-18(26-14)22-7-10-31/h11-12,29-31H,1-10H2,(H3,19,20,23,24,27)(H2,21,22,25,26,28)
InChIKeyZTHHVDKMYSZBIG-UHFFFAOYSA-N
MW434.51 g/mol
LogP-0.71
Rot. Bonds11

About 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 54565156) has the molecular formula C18H30N10O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID54565156
Molecular FormulaC18H30N10O3
Molecular Weight434.51 g/mol
Exact Mass434.25
IUPAC Name2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(C2CCC(c3nc(NCCO)nc(NCCO)n3)CC2)n1
InChIInChI=1S/C18H30N10O3/c19-15-23-13(24-16(27-15)20-5-8-29)11-1-3-12(4-2-11)14-25-17(21-6-9-30)28-18(26-14)22-7-10-31/h11-12,29-31H,1-10H2,(H3,19,20,23,24,27)(H2,21,22,25,26,28)
InChIKeyZTHHVDKMYSZBIG-UHFFFAOYSA-N
XLogP-0.71
TPSA200.14 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500434.51
LogP ≤ 5-0.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol 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
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
2-[[4-[3-[4-Amino-6-(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 53977530

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 54565156) is 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is Nc1nc(NCCO)nc(C2CCC(c3nc(NCCO)nc(NCCO)n3)CC2)n1.
What is the InChIKey of 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ZTHHVDKMYSZBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N10O3/c19-15-23-13(24-16(27-15)20-5-8-29)11-1-3-12(4-2-11)14-25-17(21-6-9-30)28-18(26-14)22-7-10-31/h11-12,29-31H,1-10H2,(H3,19,20,23,24,27)(H2,21,22,25,26,28).
What are the key properties of 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 434.51 g/mol, XLogP of -0.71, 11 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 54565156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).