6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine

C12H19N7O — CID 80809601

IUPAC6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCn2ccnc2)nc(OCC)n1
InChIInChI=1S/C12H19N7O/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-6-8-19-7-5-13-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyIDLGHBANJHFRAK-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.01
Rot. Bonds8

About 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80809601) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80809601
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCCn2ccnc2)nc(OCC)n1
InChIInChI=1S/C12H19N7O/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-6-8-19-7-5-13-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyIDLGHBANJHFRAK-UHFFFAOYSA-N
XLogP1.01
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-(2-imidazol-1-ylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80802958
4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778958
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
CID 113434060
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
2-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783995
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80809601) is 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCCn2ccnc2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IDLGHBANJHFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-14-10-16-11(18-12(17-10)20-4-2)15-6-8-19-7-5-13-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80809601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).