4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine

C9H7BrN2S2 — CID 63696235

IUPAC4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine
SMILESBrc1ccc(CSc2ccncn2)s1
InChIInChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)5-13-9-3-4-11-6-12-9/h1-4,6H,5H2
InChIKeyGBOMGPJBHZNZCR-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.59
Rot. Bonds3

About 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine

4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine (PubChem CID 63696235) has the molecular formula C9H7BrN2S2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine
PubChem CID63696235
Molecular FormulaC9H7BrN2S2
Molecular Weight287.21 g/mol
Exact Mass285.92
IUPAC Name4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine
SMILESBrc1ccc(CSc2ccncn2)s1
InChIInChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)5-13-9-3-4-11-6-12-9/h1-4,6H,5H2
InChIKeyGBOMGPJBHZNZCR-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thenyl)sulfonyl-5-bromopyrimidine
CID 100747
5-(5-Bromo-2-thienyl)pyrimidine
CID 1211676
NY 4138
CID 133258
4-(5-Bromothiophen-2-yl)-2-methylsulfanylpyrimidine
CID 2820534
4-(5-Bromo-2-thienyl)pyrimidine
CID 18791072
2-(2-Thienyl)pyrimidine
CID 818965
N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 1445614
2-{4-[(5-Bromo-2-thienyl)methyl]-1-piperazinyl}pyrimidine
CID 753957
2-Bromo-4-phenylsulfanylpyrimidine
CID 102521385
2-(Thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
CID 13317022
4-(5-Bromothiophen-2-yl)-2-(4,4-difluorobut-3-enylsulfanyl)pyrimidine
CID 58641809
2-(5-Bromo-2-thienyl)pyrimidine
CID 12399595

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine (CID 63696235) is 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine is Brc1ccc(CSc2ccncn2)s1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine?
The InChIKey is GBOMGPJBHZNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)5-13-9-3-4-11-6-12-9/h1-4,6H,5H2.
What are the key properties of 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine?
4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine has a molecular weight of 287.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 63696235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).