2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

C10H21N7O — CID 23872852

IUPAC2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCN)nc(NCCO)n1
InChIInChI=1S/C10H21N7O/c1-7(2)14-10-16-8(12-4-3-11)15-9(17-10)13-5-6-18/h7,18H,3-6,11H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyZQBRSCUDBPJNEM-UHFFFAOYSA-N
MW255.33 g/mol
LogP-0.53
Rot. Bonds8

About 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23872852) has the molecular formula C10H21N7O and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23872852
Molecular FormulaC10H21N7O
Molecular Weight255.33 g/mol
Exact Mass255.18
IUPAC Name2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCN)nc(NCCO)n1
InChIInChI=1S/C10H21N7O/c1-7(2)14-10-16-8(12-4-3-11)15-9(17-10)13-5-6-18/h7,18H,3-6,11H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyZQBRSCUDBPJNEM-UHFFFAOYSA-N
XLogP-0.53
TPSA121.01 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23872852) is 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is CC(C)Nc1nc(NCCN)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ZQBRSCUDBPJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7O/c1-7(2)14-10-16-8(12-4-3-11)15-9(17-10)13-5-6-18/h7,18H,3-6,11H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 255.33 g/mol, XLogP of -0.53, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23872852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).