4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine

C15H12N2OS — CID 168527070

IUPAC4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccc(-c3ccco3)cc2)n1
InChIInChI=1S/C15H12N2OS/c1-19-15-16-9-8-13(17-15)11-4-6-12(7-5-11)14-3-2-10-18-14/h2-10H,1H3
InChIKeyFCJDUFKUTVXLQI-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.13
Rot. Bonds3

About 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine

4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine (PubChem CID 168527070) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
PubChem CID168527070
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccc(-c3ccco3)cc2)n1
InChIInChI=1S/C15H12N2OS/c1-19-15-16-9-8-13(17-15)11-4-6-12(7-5-11)14-3-2-10-18-14/h2-10H,1H3
InChIKeyFCJDUFKUTVXLQI-UHFFFAOYSA-N
XLogP4.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine
CID 59457611
N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide
CID 59457649
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
CID 42609102
5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 158122003
4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
4-(furan-2-yl)-6-methylsulfanylpyridin-2-amine
CID 141045638
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylsulfanylpyrimidine
CID 155564746
2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
CID 12870888
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 15603902
ethane;2-phenylfuran
CID 143157762
4-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-2-methylsulfanylpyrimidine
CID 126482383

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine (CID 168527070) is 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine is CSc1nccc(-c2ccc(-c3ccco3)cc2)n1.
What is the InChIKey of 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine?
The InChIKey is FCJDUFKUTVXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-19-15-16-9-8-13(17-15)11-4-6-12(7-5-11)14-3-2-10-18-14/h2-10H,1H3.
What are the key properties of 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine?
4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine has a molecular weight of 268.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 168527070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).