2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol

C11H22N6O — CID 62016012

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-4-5-17(6-7-18)8-9-13-10(12)15-11(14-9)16(2)3/h18H,4-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyYIVMTVDNRSNIHH-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.28
Rot. Bonds7

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol (PubChem CID 62016012) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol
PubChem CID62016012
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-4-5-17(6-7-18)8-9-13-10(12)15-11(14-9)16(2)3/h18H,4-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyYIVMTVDNRSNIHH-UHFFFAOYSA-N
XLogP-0.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol (CID 62016012) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol is CCCN(CCO)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol?
The InChIKey is YIVMTVDNRSNIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-4-5-17(6-7-18)8-9-13-10(12)15-11(14-9)16(2)3/h18H,4-8H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol has a molecular weight of 254.34 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol is sourced from PubChem (CID 62016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).