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

C10H20N6O — CID 62333227

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-7(17)5-16(4)6-8-12-9(11)14-10(13-8)15(2)3/h7,17H,5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyUDCISFRMNUUEOS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.67
Rot. Bonds5

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

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol (PubChem CID 62333227) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol
PubChem CID62333227
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O/c1-7(17)5-16(4)6-8-12-9(11)14-10(13-8)15(2)3/h7,17H,5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyUDCISFRMNUUEOS-UHFFFAOYSA-N
XLogP-0.67
TPSA91.40 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 ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol (CID 62333227) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol?
The InChIKey is UDCISFRMNUUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-7(17)5-16(4)6-8-12-9(11)14-10(13-8)15(2)3/h7,17H,5-6H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol has a molecular weight of 240.31 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62333227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).