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

C17H17N5OS — CID 35041524

IUPAC6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(SCc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H17N5OS/c1-23-13-8-5-9-14(10-13)24-11-15-20-16(18)22-17(21-15)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyWBBPACDCHOCHRU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.50
Rot. Bonds6

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

6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 35041524) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID35041524
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(SCc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H17N5OS/c1-23-13-8-5-9-14(10-13)24-11-15-20-16(18)22-17(21-15)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyWBBPACDCHOCHRU-UHFFFAOYSA-N
XLogP3.50
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 940705
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8970382
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 55866773
6-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 1276590
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 40507353
6-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 7593816

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 35041524) is 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1cccc(SCc2nc(N)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WBBPACDCHOCHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-23-13-8-5-9-14(10-13)24-11-15-20-16(18)22-17(21-15)19-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 339.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 35041524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).