6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one

C11H13N5O3 — CID 135789850

IUPAC6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one
SMILESCOc1ccc(Nc2nc(N)[nH]c(=O)n2)cc1OC
InChIInChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-10-14-9(12)15-11(17)16-10/h3-5H,1-2H3,(H4,12,13,14,15,16,17)
InChIKeyJXRNHETVRNVQLH-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.51
Rot. Bonds4

About 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one

6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one (PubChem CID 135789850) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one
PubChem CID135789850
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one
SMILESCOc1ccc(Nc2nc(N)[nH]c(=O)n2)cc1OC
InChIInChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-10-14-9(12)15-11(17)16-10/h3-5H,1-2H3,(H4,12,13,14,15,16,17)
InChIKeyJXRNHETVRNVQLH-UHFFFAOYSA-N
XLogP0.51
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-5-carbonitrile
CID 82070728
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
5-N-(3,4-dimethoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963593
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059167
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one (CID 135789850) is 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one is COc1ccc(Nc2nc(N)[nH]c(=O)n2)cc1OC.
What is the InChIKey of 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one?
The InChIKey is JXRNHETVRNVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-10-14-9(12)15-11(17)16-10/h3-5H,1-2H3,(H4,12,13,14,15,16,17).
What are the key properties of 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one?
6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one has a molecular weight of 263.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135789850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).