2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone

C14H25N7O — CID 18124598

IUPAC2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H25N7O/c1-10(12-16-13(15)18-14(17-12)19(2)3)20(4)9-11(22)21-7-5-6-8-21/h10H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyWYIHXZLNODHCQL-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.14
Rot. Bonds5

About 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 18124598) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID18124598
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H25N7O/c1-10(12-16-13(15)18-14(17-12)19(2)3)20(4)9-11(22)21-7-5-6-8-21/h10H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyWYIHXZLNODHCQL-UHFFFAOYSA-N
XLogP0.14
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134914238
2,4-Diamino-6-methyl-1,3,5-triazine-N-methylpyrrolidin-2-one (1/1)
CID 139062113
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]-3-propan-2-ylimidazolidin-3-ium-2,4-dione
CID 21091287
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]-3-propylimidazolidin-3-ium-2,4-dione
CID 21091288
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 21091289
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]imidazolidine-2,4-dione
CID 21091290
(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 59474177
1-[4-(Dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 70672915
1-(4,6-Dimethyl-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 70907636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 18124598) is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone is CC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is WYIHXZLNODHCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-10(12-16-13(15)18-14(17-12)19(2)3)20(4)9-11(22)21-7-5-6-8-21/h10H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 307.40 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 18124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).