5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine

C11H9Br2N3S — CID 80888784

IUPAC5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H9Br2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyOHBBSOWFTIFYQU-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.19
Rot. Bonds3

About 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine

5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine (PubChem CID 80888784) has the molecular formula C11H9Br2N3S and a molecular weight of 375.09 g/mol. Its IUPAC name is 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
PubChem CID80888784
Molecular FormulaC11H9Br2N3S
Molecular Weight375.09 g/mol
Exact Mass372.89
IUPAC Name5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H9Br2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyOHBBSOWFTIFYQU-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

5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine (CID 80888784) is 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Sc2cccc(Br)c2)n1.
What is the InChIKey of 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The InChIKey is OHBBSOWFTIFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine?
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-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-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80888784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).