5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

C9H10BrN5S — CID 80886821

IUPAC5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2nccn2C)n1
InChIInChI=1S/C9H10BrN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14)
InChIKeyZGPZRKFDACFHNI-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.17
Rot. Bonds3

About 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine

5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80886821) has the molecular formula C9H10BrN5S and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80886821
Molecular FormulaC9H10BrN5S
Molecular Weight300.19 g/mol
Exact Mass298.98
IUPAC Name5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Sc2nccn2C)n1
InChIInChI=1S/C9H10BrN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14)
InChIKeyZGPZRKFDACFHNI-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922418
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
5-bromo-N-methyl-4-(2-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80884370
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
CID 114788229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine (CID 80886821) is 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is CNc1ncc(Br)c(Sc2nccn2C)n1.
What is the InChIKey of 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is ZGPZRKFDACFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5S/c1-11-8-13-5-6(10)7(14-8)16-9-12-3-4-15(9)2/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine?
5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 300.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80886821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).