5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

C12H13N3OS — CID 80879504

IUPAC5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccc(Oc2ncnc(N)c2C)cc1
InChIInChI=1S/C12H13N3OS/c1-8-11(13)14-7-15-12(8)16-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyODQHZFMGGNZURN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.88
Rot. Bonds3

About 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 80879504) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID80879504
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccc(Oc2ncnc(N)c2C)cc1
InChIInChI=1S/C12H13N3OS/c1-8-11(13)14-7-15-12(8)16-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyODQHZFMGGNZURN-UHFFFAOYSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
CID 133425267
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (CID 80879504) is 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is CSc1ccc(Oc2ncnc(N)c2C)cc1.
What is the InChIKey of 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is ODQHZFMGGNZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-11(13)14-7-15-12(8)16-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 247.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80879504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).