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

C20H34N10O4 — CID 54402042

IUPAC2-[[4-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCO)nc(C2CCCC(c3nc(NCCO)nc(NCCO)n3)C2)n1
InChIInChI=1S/C20H34N10O4/c31-8-4-21-17-25-15(26-18(29-17)22-5-9-32)13-2-1-3-14(12-13)16-27-19(23-6-10-33)30-20(28-16)24-7-11-34/h13-14,31-34H,1-12H2,(H2,21,22,25,26,29)(H2,23,24,27,28,30)
InChIKeyVOCCKKOZEAWMRN-UHFFFAOYSA-N
MW478.56 g/mol
LogP-0.89
Rot. Bonds14

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

2-[[4-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 54402042) has the molecular formula C20H34N10O4 and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-[[4-[3-[4,6-bis(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-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID54402042
Molecular FormulaC20H34N10O4
Molecular Weight478.56 g/mol
Exact Mass478.28
IUPAC Name2-[[4-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCO)nc(C2CCCC(c3nc(NCCO)nc(NCCO)n3)C2)n1
InChIInChI=1S/C20H34N10O4/c31-8-4-21-17-25-15(26-18(29-17)22-5-9-32)13-2-1-3-14(12-13)16-27-19(23-6-10-33)30-20(28-16)24-7-11-34/h13-14,31-34H,1-12H2,(H2,21,22,25,26,29)(H2,23,24,27,28,30)
InChIKeyVOCCKKOZEAWMRN-UHFFFAOYSA-N
XLogP-0.89
TPSA206.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500478.56
LogP ≤ 5-0.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 2-[[4-[3-[4,6-bis(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-[2-[[4-[6-[4-Amino-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 53706024
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-[5-[4,6-Bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 53909215
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[4,6-bis(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-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 54402042) is 2-[[4-[3-[4,6-bis(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-[3-[4,6-bis(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-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NCCO)nc(C2CCCC(c3nc(NCCO)nc(NCCO)n3)C2)n1.
What is the InChIKey of 2-[[4-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is VOCCKKOZEAWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N10O4/c31-8-4-21-17-25-15(26-18(29-17)22-5-9-32)13-2-1-3-14(12-13)16-27-19(23-6-10-33)30-20(28-16)24-7-11-34/h13-14,31-34H,1-12H2,(H2,21,22,25,26,29)(H2,23,24,27,28,30).
What are the key properties of 2-[[4-[3-[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[3-[4,6-bis(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 478.56 g/mol, XLogP of -0.89, 14 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4,6-bis(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 54402042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).