4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H17N7O — CID 80787157

IUPAC4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CN(c2nc(N)nc(-n3ccnc3)n2)CCO1
InChIInChI=1S/C12H17N7O/c1-2-9-7-18(5-6-20-9)11-15-10(13)16-12(17-11)19-4-3-14-8-19/h3-4,8-9H,2,5-7H2,1H3,(H2,13,15,16,17)
InChIKeyDCQHSTLRVWDTFM-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.25
Rot. Bonds3

About 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80787157) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80787157
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CN(c2nc(N)nc(-n3ccnc3)n2)CCO1
InChIInChI=1S/C12H17N7O/c1-2-9-7-18(5-6-20-9)11-15-10(13)16-12(17-11)19-4-3-14-8-19/h3-4,8-9H,2,5-7H2,1H3,(H2,13,15,16,17)
InChIKeyDCQHSTLRVWDTFM-UHFFFAOYSA-N
XLogP0.25
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
2-(2-ethylmorpholin-4-yl)pyrimidin-5-amine
CID 61147387
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80787157) is 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCC1CN(c2nc(N)nc(-n3ccnc3)n2)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DCQHSTLRVWDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-9-7-18(5-6-20-9)11-15-10(13)16-12(17-11)19-4-3-14-8-19/h3-4,8-9H,2,5-7H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 275.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).