4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine

C17H12N2OS — CID 2877182

IUPAC4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)21-17-16-15(18-10-19-17)13-4-2-3-5-14(13)20-16/h2-10H,1H3
InChIKeyMQMBVQWKGQNHEX-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.84
Rot. Bonds2

About 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine

4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2877182) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2877182
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)21-17-16-15(18-10-19-17)13-4-2-3-5-14(13)20-16/h2-10H,1H3
InChIKeyMQMBVQWKGQNHEX-UHFFFAOYSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24656795
4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2458258
5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 133294077
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 2455354
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456540
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39772968
4-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17422663
ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1,3-thiazol-4-yl]acetate
CID 34039953

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine (CID 2877182) is 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine is Cc1ccc(Sc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is MQMBVQWKGQNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)21-17-16-15(18-10-19-17)13-4-2-3-5-14(13)20-16/h2-10H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 292.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2877182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).