1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone

C13H17N5O — CID 23275067

IUPAC1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17)
InChIKeyDZCIWZYDWLPKEI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds2

About 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone

1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone (PubChem CID 23275067) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
PubChem CID23275067
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17)
InChIKeyDZCIWZYDWLPKEI-UHFFFAOYSA-N
XLogP1.07
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone 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 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone (CID 23275067) is 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone?
The InChIKey is DZCIWZYDWLPKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(19)9-4-6-10(7-5-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17).
What are the key properties of 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone?
1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 23275067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).