6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 80811135

IUPAC6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-16-12(18-13(17-11)21-6-2)20(4)9-10-15-7-8-19(10)3/h7-8H,5-6,9H2,1-4H3,(H,14,16,17,18)
InChIKeyYAPICIGSZBNQDH-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.07
Rot. Bonds7

About 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80811135) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80811135
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-16-12(18-13(17-11)21-6-2)20(4)9-10-15-7-8-19(10)3/h7-8H,5-6,9H2,1-4H3,(H,14,16,17,18)
InChIKeyYAPICIGSZBNQDH-UHFFFAOYSA-N
XLogP1.07
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-2-N,2-N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 79738059
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80823798
4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80857032
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114953966
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79733828
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
2-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327565
4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780556

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80811135) is 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC)nc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YAPICIGSZBNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-14-11-16-12(18-13(17-11)21-6-2)20(4)9-10-15-7-8-19(10)3/h7-8H,5-6,9H2,1-4H3,(H,14,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80811135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).