4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine

C15H17ClN2OS — CID 80973295

IUPAC4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
SMILESCSc1ccc(Oc2nc(C(C)C)nc(Cl)c2C)cc1
InChIInChI=1S/C15H17ClN2OS/c1-9(2)14-17-13(16)10(3)15(18-14)19-11-5-7-12(20-4)8-6-11/h5-9H,1-4H3
InChIKeyFMAIAQAABVCWOZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.08
Rot. Bonds4

About 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine

4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80973295) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
PubChem CID80973295
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
SMILESCSc1ccc(Oc2nc(C(C)C)nc(Cl)c2C)cc1
InChIInChI=1S/C15H17ClN2OS/c1-9(2)14-17-13(16)10(3)15(18-14)19-11-5-7-12(20-4)8-6-11/h5-9H,1-4H3
InChIKeyFMAIAQAABVCWOZ-UHFFFAOYSA-N
XLogP5.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidine
CID 80973267
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 80973408
[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 63648235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine (CID 80973295) is 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine is CSc1ccc(Oc2nc(C(C)C)nc(Cl)c2C)cc1.
What is the InChIKey of 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is FMAIAQAABVCWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9(2)14-17-13(16)10(3)15(18-14)19-11-5-7-12(20-4)8-6-11/h5-9H,1-4H3.
What are the key properties of 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 308.83 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80973295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).