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

C11H10BrN3OS — CID 114073419

IUPAC5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccc(Oc2ncnc(N)c2Br)cc1
InChIInChI=1S/C11H10BrN3OS/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyCMZLWIYGTDBMGJ-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.34
Rot. Bonds3

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

5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 114073419) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID114073419
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccc(Oc2ncnc(N)c2Br)cc1
InChIInChI=1S/C11H10BrN3OS/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyCMZLWIYGTDBMGJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 114073133
5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
2-methylsulfanyl-7-(4-methylsulfanylphenoxy)-[1,3]thiazolo[4,5-d]pyrimidine
CID 133425267
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
5-iodo-4-(4-methylsulfanylphenoxy)pyrimidine
CID 66319830
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (CID 114073419) is 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is CSc1ccc(Oc2ncnc(N)c2Br)cc1.
What is the InChIKey of 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is CMZLWIYGTDBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-17-8-4-2-7(3-5-8)16-11-9(12)10(13)14-6-15-11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 312.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 114073419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).