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

C11H8BrCl2N3S — CID 80891409

IUPAC5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyZFCUNDZEIQQJJH-UHFFFAOYSA-N
MW365.08 g/mol
LogP4.74
Rot. Bonds3

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

5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine (PubChem CID 80891409) has the molecular formula C11H8BrCl2N3S and a molecular weight of 365.08 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
PubChem CID80891409
Molecular FormulaC11H8BrCl2N3S
Molecular Weight365.08 g/mol
Exact Mass362.90
IUPAC Name5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyZFCUNDZEIQQJJH-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)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
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-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80886821
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine (CID 80891409) is 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Sc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The InChIKey is ZFCUNDZEIQQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3S/c1-15-11-16-5-7(12)10(17-11)18-6-2-3-8(13)9(14)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
5-bromo-4-(3,4-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-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80891409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).