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

C16H26N10O2 — CID 18926678

IUPAC2-[[4-amino-6-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(C2CCC(c3nc(N)nc(NCCO)n3)CC2)n1
InChIInChI=1S/C16H26N10O2/c17-13-21-11(23-15(25-13)19-5-7-27)9-1-2-10(4-3-9)12-22-14(18)26-16(24-12)20-6-8-28/h9-10,27-28H,1-8H2,(H3,17,19,21,23,25)(H3,18,20,22,24,26)
InChIKeyLRGBCBMAOFAJOM-UHFFFAOYSA-N
MW390.45 g/mol
LogP-0.53
Rot. Bonds8

About 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

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 (PubChem CID 18926678) has the molecular formula C16H26N10O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[4-amino-6-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID18926678
Molecular FormulaC16H26N10O2
Molecular Weight390.45 g/mol
Exact Mass390.22
IUPAC Name2-[[4-amino-6-[4-[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(C2CCC(c3nc(N)nc(NCCO)n3)CC2)n1
InChIInChI=1S/C16H26N10O2/c17-13-21-11(23-15(25-13)19-5-7-27)9-1-2-10(4-3-9)12-22-14(18)26-16(24-12)20-6-8-28/h9-10,27-28H,1-8H2,(H3,17,19,21,23,25)(H3,18,20,22,24,26)
InChIKeyLRGBCBMAOFAJOM-UHFFFAOYSA-N
XLogP-0.53
TPSA193.90 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500390.45
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(NCCO)nc(C2CCC(c3nc(N)nc(NCCO)n3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is LRGBCBMAOFAJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N10O2/c17-13-21-11(23-15(25-13)19-5-7-27)9-1-2-10(4-3-9)12-22-14(18)26-16(24-12)20-6-8-28/h9-10,27-28H,1-8H2,(H3,17,19,21,23,25)(H3,18,20,22,24,26).
What are the key properties of 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?
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 has a molecular weight of 390.45 g/mol, XLogP of -0.53, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18926678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).