N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide

C13H16N6O2 — CID 70962503

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C13H16N6O2/c1-7-3-4-9(8(2)5-7)21-6-10(20)16-13-18-11(14)17-12(15)19-13/h3-5H,6H2,1-2H3,(H5,14,15,16,17,18,19,20)
InChIKeyDMTXYPIVUACPTJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.67
Rot. Bonds4

About N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide

N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 70962503) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID70962503
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(N)nc(N)n2)c(C)c1
InChIInChI=1S/C13H16N6O2/c1-7-3-4-9(8(2)5-7)21-6-10(20)16-13-18-11(14)17-12(15)19-13/h3-5H,6H2,1-2H3,(H5,14,15,16,17,18,19,20)
InChIKeyDMTXYPIVUACPTJ-UHFFFAOYSA-N
XLogP0.67
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
CID 654531
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide (CID 70962503) is N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2nc(N)nc(N)n2)c(C)c1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is DMTXYPIVUACPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-7-3-4-9(8(2)5-7)21-6-10(20)16-13-18-11(14)17-12(15)19-13/h3-5H,6H2,1-2H3,(H5,14,15,16,17,18,19,20).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 70962503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).