2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C20H26N8O+2 — CID 6987528

IUPAC2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3cccc[nH+]3)CC2)n1
InChIInChI=1S/C20H24N8O/c1-29-16-7-3-2-6-15(16)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)/p+2
InChIKeyRSSRAKZWIXJBKW-UHFFFAOYSA-P
MW394.48 g/mol
LogP-0.07
Rot. Bonds6

About 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 6987528) has the molecular formula C20H26N8O+2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID6987528
Molecular FormulaC20H26N8O+2
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3cccc[nH+]3)CC2)n1
InChIInChI=1S/C20H24N8O/c1-29-16-7-3-2-6-15(16)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)/p+2
InChIKeyRSSRAKZWIXJBKW-UHFFFAOYSA-P
XLogP-0.07
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine 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-N-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2716885
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 96538160
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3,5-dimethylpiperidine-1-carbodithioate
CID 4014018
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
2-N-(3-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 6987526
2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40939941
2-N-(2-methoxyphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 644453
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate
CID 9380142

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 6987528) is 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(C[NH+]2CCN(c3cccc[nH+]3)CC2)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RSSRAKZWIXJBKW-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24N8O/c1-29-16-7-3-2-6-15(16)23-20-25-17(24-19(21)26-20)14-27-10-12-28(13-11-27)18-8-4-5-9-22-18/h2-9H,10-14H2,1H3,(H3,21,23,24,25,26)/p+2.
What are the key properties of 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 394.48 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6987528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).