2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol

C10H20N6O — CID 113426550

IUPAC2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
SMILESCNc1nc(N(C)C)nc(N(C)C(C)CO)n1
InChIInChI=1S/C10H20N6O/c1-7(6-17)16(5)10-13-8(11-2)12-9(14-10)15(3)4/h7,17H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyQBIKNDVMHJBMNS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.20
Rot. Bonds5

About 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol

2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol (PubChem CID 113426550) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
PubChem CID113426550
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
SMILESCNc1nc(N(C)C)nc(N(C)C(C)CO)n1
InChIInChI=1S/C10H20N6O/c1-7(6-17)16(5)10-13-8(11-2)12-9(14-10)15(3)4/h7,17H,6H2,1-5H3,(H,11,12,13,14)
InChIKeyQBIKNDVMHJBMNS-UHFFFAOYSA-N
XLogP-0.20
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol 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-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol (CID 113426550) is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol is CNc1nc(N(C)C)nc(N(C)C(C)CO)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The InChIKey is QBIKNDVMHJBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-7(6-17)16(5)10-13-8(11-2)12-9(14-10)15(3)4/h7,17H,6H2,1-5H3,(H,11,12,13,14).
What are the key properties of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol has a molecular weight of 240.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 113426550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).