5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

C13H11BrN4S — CID 80891225

IUPAC5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11BrN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18)
InChIKeyOUXPKNGKNRTGCC-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (PubChem CID 80891225) has the molecular formula C13H11BrN4S and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
PubChem CID80891225
Molecular FormulaC13H11BrN4S
Molecular Weight335.23 g/mol
Exact Mass333.99
IUPAC Name5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11BrN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18)
InChIKeyOUXPKNGKNRTGCC-UHFFFAOYSA-N
XLogP3.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (CID 80891225) is 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The InChIKey is OUXPKNGKNRTGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18).
What are the key properties of 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine has a molecular weight of 335.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80891225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).