5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine

C10H9BrN2O2S — CID 106999439

IUPAC5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
SMILESCOc1nc(SCc2ccco2)ncc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-14-9-8(11)5-12-10(13-9)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3
InChIKeyCVSVQKUFQIVAON-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.13
Rot. Bonds4

About 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine

5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine (PubChem CID 106999439) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
PubChem CID106999439
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
SMILESCOc1nc(SCc2ccco2)ncc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-14-9-8(11)5-12-10(13-9)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3
InChIKeyCVSVQKUFQIVAON-UHFFFAOYSA-N
XLogP3.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-2-(2-methylpropylsulfanyl)pyrimidine
CID 106999437
3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 10149561
2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)-3-methoxypyridine
CID 22117326
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097
4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 21003558
5-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 70384231
1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
CID 144838750
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine (CID 106999439) is 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine is COc1nc(SCc2ccco2)ncc1Br.
What is the InChIKey of 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine?
The InChIKey is CVSVQKUFQIVAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-14-9-8(11)5-12-10(13-9)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine?
5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine has a molecular weight of 301.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine is sourced from PubChem (CID 106999439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).