6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H19N7O — CID 80791148

IUPAC6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CCCCO2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-14-11-17-12(16-8-10-4-2-3-7-21-10)19-13(18-11)20-6-5-15-9-20/h5-6,9-10H,2-4,7-8H2,1H3,(H2,14,16,17,18,19)
InChIKeyAAWYKDQLLCMJSO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.08
Rot. Bonds5

About 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80791148) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80791148
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CCCCO2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H19N7O/c1-14-11-17-12(16-8-10-4-2-3-7-21-10)19-13(18-11)20-6-5-15-9-20/h5-6,9-10H,2-4,7-8H2,1H3,(H2,14,16,17,18,19)
InChIKeyAAWYKDQLLCMJSO-UHFFFAOYSA-N
XLogP1.08
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82751261
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43220337
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
CID 106296305

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80791148) is 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NCC2CCCCO2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AAWYKDQLLCMJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-14-11-17-12(16-8-10-4-2-3-7-21-10)19-13(18-11)20-6-5-15-9-20/h5-6,9-10H,2-4,7-8H2,1H3,(H2,14,16,17,18,19).
What are the key properties of 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).