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

C17H12N2O2S — CID 39742965

IUPAC4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H12N2O2S/c1-20-11-6-8-12(9-7-11)22-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3
InChIKeyLLVDSVNLGZCUKM-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.54
Rot. Bonds3

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

4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 39742965) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID39742965
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C17H12N2O2S/c1-20-11-6-8-12(9-7-11)22-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3
InChIKeyLLVDSVNLGZCUKM-UHFFFAOYSA-N
XLogP4.54
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2877182
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
4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
CID 3326053
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-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
11-(4-methoxyphenyl)-[1]benzofuro[3,2-b]quinoline
CID 11809524
4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine
CID 2487999
ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1,3-thiazol-4-yl]acetate
CID 34039953
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 31257930

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine (CID 39742965) is 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine is COc1ccc(Sc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LLVDSVNLGZCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-20-11-6-8-12(9-7-11)22-17-16-15(18-10-19-17)13-4-2-3-5-14(13)21-16/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine?
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 308.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 39742965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).