6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H17N3OS — CID 80864389

IUPAC6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(C)c(C)c2)nc(SC)n1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-11(7-10(9)2)18-13-8-12(15-3)16-14(17-13)19-4/h5-8H,1-4H3,(H,15,16,17)
InChIKeyKBXYARSXOLBUEN-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.65
Rot. Bonds4

About 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80864389) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80864389
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(C)c(C)c2)nc(SC)n1
InChIInChI=1S/C14H17N3OS/c1-9-5-6-11(7-10(9)2)18-13-8-12(15-3)16-14(17-13)19-4/h5-8H,1-4H3,(H,15,16,17)
InChIKeyKBXYARSXOLBUEN-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80864389) is 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Oc2ccc(C)c(C)c2)nc(SC)n1.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KBXYARSXOLBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-5-6-11(7-10(9)2)18-13-8-12(15-3)16-14(17-13)19-4/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80864389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).