5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine

C11H9Br2N3S — CID 114073878

IUPAC5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccc(Br)c2)c1Br
InChIInChI=1S/C11H9Br2N3S/c1-14-10-9(13)11(16-6-15-10)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCXDSOPCLIIORAQ-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine

5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine (PubChem CID 114073878) has the molecular formula C11H9Br2N3S and a molecular weight of 375.09 g/mol. Its IUPAC name is 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
PubChem CID114073878
Molecular FormulaC11H9Br2N3S
Molecular Weight375.09 g/mol
Exact Mass372.89
IUPAC Name5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2cccc(Br)c2)c1Br
InChIInChI=1S/C11H9Br2N3S/c1-14-10-9(13)11(16-6-15-10)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCXDSOPCLIIORAQ-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
6-(3-bromophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80889307
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
1-bromo-3-methylsulfanylbenzene
CID 2735627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine (CID 114073878) is 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine is CNc1ncnc(Sc2cccc(Br)c2)c1Br.
What is the InChIKey of 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The InChIKey is CXDSOPCLIIORAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3S/c1-14-10-9(13)11(16-6-15-10)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine?
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine has a molecular weight of 375.09 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114073878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).