2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C15H17N7OS — CID 944522

IUPAC2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1
InChIInChI=1S/C15H17N7OS/c1-22-8-7-17-15(22)24-9-12-19-13(16)21-14(20-12)18-10-3-5-11(23-2)6-4-10/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyRYKHMWWWQDZOBO-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.23
Rot. Bonds6

About 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 944522) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID944522
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1
InChIInChI=1S/C15H17N7OS/c1-22-8-7-17-15(22)24-9-12-19-13(16)21-14(20-12)18-10-3-5-11(23-2)6-4-10/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyRYKHMWWWQDZOBO-UHFFFAOYSA-N
XLogP2.23
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
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1-(3-Imidazol-1-ylpropyl)-3-(4-methoxyphenyl)thiourea
CID 2917732
1-(2-Methoxyphenyl)-4-[4-(2-methylsulfanylimidazol-1-yl)butyl]piperazine
CID 11222149
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-thiazole
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4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
1-(4-Butoxy-phenyl)-2-methyl-1H-imidazole
CID 11148936
2-[(2,6-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-N-methylimidazol-4-amine
CID 118586281
N-(2-Methoxy-phenyl)-6-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 644453
2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 666200
2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-phenylacetamide
CID 866704

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 944522) is 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RYKHMWWWQDZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-22-8-7-17-15(22)24-9-12-19-13(16)21-14(20-12)18-10-3-5-11(23-2)6-4-10/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21).
What are the key properties of 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 944522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).