6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

C13H15N3OS2 — CID 80886236

IUPAC6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccccc2OC)nc(SC)n1
InChIInChI=1S/C13H15N3OS2/c1-14-11-8-12(16-13(15-11)18-3)19-10-7-5-4-6-9(10)17-2/h4-8H,1-3H3,(H,14,15,16)
InChIKeyOHNJTDSRRFMBOT-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.40
Rot. Bonds5

About 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80886236) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80886236
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccccc2OC)nc(SC)n1
InChIInChI=1S/C13H15N3OS2/c1-14-11-8-12(16-13(15-11)18-3)19-10-7-5-4-6-9(10)17-2/h4-8H,1-3H3,(H,14,15,16)
InChIKeyOHNJTDSRRFMBOT-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80886236) is 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Sc2ccccc2OC)nc(SC)n1.
What is the InChIKey of 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is OHNJTDSRRFMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-14-11-8-12(16-13(15-11)18-3)19-10-7-5-4-6-9(10)17-2/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 293.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80886236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).