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

C13H17N5OS — CID 47449133

IUPAC6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H17N5OS/c1-18(2)13-16-11(15-12(14)17-13)8-20-10-7-5-4-6-9(10)19-3/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGUDRXRGNVWELGA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.82
Rot. Bonds5

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

6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 47449133) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID47449133
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H17N5OS/c1-18(2)13-16-11(15-12(14)17-13)8-20-10-7-5-4-6-9(10)19-3/h4-7H,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGUDRXRGNVWELGA-UHFFFAOYSA-N
XLogP1.82
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 47449133) is 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccccc1SCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GUDRXRGNVWELGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-18(2)13-16-11(15-12(14)17-13)8-20-10-7-5-4-6-9(10)19-3/h4-7H,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47449133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).