2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine

C11H10BrN3S — CID 114870886

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2cc(C)c(Br)cn2)n1
InChIInChI=1S/C11H10BrN3S/c1-7-5-10(14-6-9(7)12)16-11-13-4-3-8(2)15-11/h3-6H,1-2H3
InChIKeyQVIWEZBCXNSYKH-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.40
Rot. Bonds2

About 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine

2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine (PubChem CID 114870886) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine
PubChem CID114870886
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine
SMILESCc1ccnc(Sc2cc(C)c(Br)cn2)n1
InChIInChI=1S/C11H10BrN3S/c1-7-5-10(14-6-9(7)12)16-11-13-4-3-8(2)15-11/h3-6H,1-2H3
InChIKeyQVIWEZBCXNSYKH-UHFFFAOYSA-N
XLogP3.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 62267843
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 79734154
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-thiazole
CID 114870877
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805
6-(4-methylpyrimidin-2-yl)sulfanylpyrazine-2-carboxylic acid
CID 66451570
[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
CID 80650640
3-chloro-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazine
CID 115000469
2-[(6-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 63588434
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822
2-bromo-4-(4-methylpyrimidin-2-yl)sulfanylbenzoic acid
CID 107282668
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
1-[5-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 82972733

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine (CID 114870886) is 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine is Cc1ccnc(Sc2cc(C)c(Br)cn2)n1.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
The InChIKey is QVIWEZBCXNSYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c1-7-5-10(14-6-9(7)12)16-11-13-4-3-8(2)15-11/h3-6H,1-2H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine?
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine has a molecular weight of 296.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine is sourced from PubChem (CID 114870886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).