[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C13H18N6O3 — CID 17416416

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H18N6O3/c1-5-8-10(7(2)22-18-8)11(20)21-6-9-15-12(14)17-13(16-9)19(3)4/h5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyHIQRAJRXNDZYQK-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.74
Rot. Bonds5

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 17416416) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID17416416
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H18N6O3/c1-5-8-10(7(2)22-18-8)11(20)21-6-9-15-12(14)17-13(16-9)19(3)4/h5-6H2,1-4H3,(H2,14,15,16,17)
InChIKeyHIQRAJRXNDZYQK-UHFFFAOYSA-N
XLogP0.74
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 17416416) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is HIQRAJRXNDZYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-5-8-10(7(2)22-18-8)11(20)21-6-9-15-12(14)17-13(16-9)19(3)4/h5-6H2,1-4H3,(H2,14,15,16,17).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 306.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 17416416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).