4-bromo-2,6-bis(methylsulfanyl)pyrimidine

C6H7BrN2S2 — CID 102390666

IUPAC4-bromo-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1cc(Br)nc(SC)n1
InChIInChI=1S/C6H7BrN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKeyUPQQECDKAFNYDQ-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.68
Rot. Bonds2

About 4-bromo-2,6-bis(methylsulfanyl)pyrimidine

4-bromo-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 102390666) has the molecular formula C6H7BrN2S2 and a molecular weight of 251.17 g/mol. Its IUPAC name is 4-bromo-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID102390666
Molecular FormulaC6H7BrN2S2
Molecular Weight251.17 g/mol
Exact Mass249.92
IUPAC Name4-bromo-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1cc(Br)nc(SC)n1
InChIInChI=1S/C6H7BrN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKeyUPQQECDKAFNYDQ-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methylsulfanylpyridin-4-amine
CID 162523324
4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
CID 130708904
2-bromo-6-methylsulfanylpyridine-4-carbonitrile
CID 162523304
2-bromo-4-(difluoromethyl)-6-methylsulfanylpyridine
CID 162523367
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
4-hexan-3-yl-2,6-bis(methylsulfanyl)pyrimidine
CID 134171694
2-bromo-6-methylsulfanylpyridine
CID 12560807
2-methyl-6-methylsulfanylpyrimidin-4-amine
CID 80885206
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine
CID 59826761
2-chloro-4-iodo-6-methylsulfanylpyrimidine
CID 139215040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4-bromo-2,6-bis(methylsulfanyl)pyrimidine (CID 102390666) is 4-bromo-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4-bromo-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4-bromo-2,6-bis(methylsulfanyl)pyrimidine is CSc1cc(Br)nc(SC)n1.
What is the InChIKey of 4-bromo-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is UPQQECDKAFNYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2S2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3.
What are the key properties of 4-bromo-2,6-bis(methylsulfanyl)pyrimidine?
4-bromo-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 251.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 102390666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).