6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C15H18BrN3OS — CID 80880525

IUPAC6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2C)nc(SC)n1
InChIInChI=1S/C15H18BrN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-12-6-5-11(16)8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyIZHQARSLZIRBGQ-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.88
Rot. Bonds6

About 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80880525) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80880525
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2C)nc(SC)n1
InChIInChI=1S/C15H18BrN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-12-6-5-11(16)8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyIZHQARSLZIRBGQ-UHFFFAOYSA-N
XLogP4.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-methylphenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 107287439
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
4-N-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80776553
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80880525) is 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Br)cc2C)nc(SC)n1.
What is the InChIKey of 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is IZHQARSLZIRBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-4-7-17-13-9-14(19-15(18-13)21-3)20-12-6-5-11(16)8-10(12)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 368.30 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80880525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).