4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine

C10H8BrN3S — CID 106878316

IUPAC4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1ccnc(Sc2ccncn2)c1Br
InChIInChI=1S/C10H8BrN3S/c1-7-2-5-13-10(9(7)11)15-8-3-4-12-6-14-8/h2-6H,1H3
InChIKeyFPLJQVLXXGRLCA-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.09
Rot. Bonds2

About 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine

4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine (PubChem CID 106878316) has the molecular formula C10H8BrN3S and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
PubChem CID106878316
Molecular FormulaC10H8BrN3S
Molecular Weight282.17 g/mol
Exact Mass280.96
IUPAC Name4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
SMILESCc1ccnc(Sc2ccncn2)c1Br
InChIInChI=1S/C10H8BrN3S/c1-7-2-5-13-10(9(7)11)15-8-3-4-12-6-14-8/h2-6H,1H3
InChIKeyFPLJQVLXXGRLCA-UHFFFAOYSA-N
XLogP3.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
CID 106878334
6-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 106875322
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
4-chloro-5-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63732721
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
3-bromo-4-methyl-2-propylsulfanylpyridine
CID 106878163
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
CID 107060763
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 106875336
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 106878206
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine (CID 106878316) is 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The canonical SMILES for 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine is Cc1ccnc(Sc2ccncn2)c1Br.
What is the InChIKey of 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine?
The InChIKey is FPLJQVLXXGRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3S/c1-7-2-5-13-10(9(7)11)15-8-3-4-12-6-14-8/h2-6H,1H3.
What are the key properties of 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine?
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine has a molecular weight of 282.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine is sourced from PubChem (CID 106878316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).