5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine

C11H8BrCl2N3S — CID 80884261

IUPAC5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,16,17)
InChIKeyUKAHDLFOZYJSND-UHFFFAOYSA-N
MW365.08 g/mol
LogP4.74
Rot. Bonds3

About 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine

5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine (PubChem CID 80884261) has the molecular formula C11H8BrCl2N3S and a molecular weight of 365.08 g/mol. Its IUPAC name is 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
PubChem CID80884261
Molecular FormulaC11H8BrCl2N3S
Molecular Weight365.08 g/mol
Exact Mass362.90
IUPAC Name5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,16,17)
InChIKeyUKAHDLFOZYJSND-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.08
LogP ≤ 54.74
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
5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
CID 80884851
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 80884082
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
5-bromo-4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786471
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine (CID 80884261) is 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The InChIKey is UKAHDLFOZYJSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-9-4-6(13)2-3-8(9)14/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine has a molecular weight of 365.08 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80884261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).