6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

C12H15N5OS — CID 17409436

IUPAC6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CSCc1nc(N)nc(N)n1
InChIInChI=1S/C12H15N5OS/c1-18-9-5-3-2-4-8(9)6-19-7-10-15-11(13)17-12(14)16-10/h2-5H,6-7H2,1H3,(H4,13,14,15,16,17)
InChIKeyCOHKKXSYDIPRJK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.48
Rot. Bonds5

About 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17409436) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID17409436
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1CSCc1nc(N)nc(N)n1
InChIInChI=1S/C12H15N5OS/c1-18-9-5-3-2-4-8(9)6-19-7-10-15-11(13)17-12(14)16-10/h2-5H,6-7H2,1H3,(H4,13,14,15,16,17)
InChIKeyCOHKKXSYDIPRJK-UHFFFAOYSA-N
XLogP1.48
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(2-methoxyphenyl)methylsulfanylmethyl]-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

6-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 26635001
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17406340
N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
CID 23621598
6-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 24512371
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
6-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 55392523
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 41286541
2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40939941

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 17409436) is 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is COc1ccccc1CSCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is COHKKXSYDIPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-18-9-5-3-2-4-8(9)6-19-7-10-15-11(13)17-12(14)16-10/h2-5H,6-7H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 277.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17409436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).