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

C11H17N7O — CID 104556976

IUPAC2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
SMILESCNc1nc(N(C)C(C)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-8(6-19)17(3)10-14-9(12-2)15-11(16-10)18-5-4-13-7-18/h4-5,7-8,19H,6H2,1-3H3,(H,12,14,15,16)
InChIKeyPYLJHZVVJPIEFZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.08
Rot. Bonds5

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

2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol (PubChem CID 104556976) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
PubChem CID104556976
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
SMILESCNc1nc(N(C)C(C)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-8(6-19)17(3)10-14-9(12-2)15-11(16-10)18-5-4-13-7-18/h4-5,7-8,19H,6H2,1-3H3,(H,12,14,15,16)
InChIKeyPYLJHZVVJPIEFZ-UHFFFAOYSA-N
XLogP-0.08
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol with MolForge

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Related Compounds

6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789035
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82751261

Frequently Asked Questions

What is the IUPAC name of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol (CID 104556976) is 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol is CNc1nc(N(C)C(C)CO)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
The InChIKey is PYLJHZVVJPIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-8(6-19)17(3)10-14-9(12-2)15-11(16-10)18-5-4-13-7-18/h4-5,7-8,19H,6H2,1-3H3,(H,12,14,15,16).
What are the key properties of 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol?
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol has a molecular weight of 263.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104556976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).