4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine

C19H14N2O2S — CID 3326053

IUPAC4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H14N2O2S/c1-22-14-7-9-15(10-8-14)24-19-16-11-17(13-5-3-2-4-6-13)23-18(16)20-12-21-19/h2-12H,1H3
InChIKeyAZHNNDZNKHMRST-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.05
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine

4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine (PubChem CID 3326053) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
PubChem CID3326053
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
SMILESCOc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C19H14N2O2S/c1-22-14-7-9-15(10-8-14)24-19-16-11-17(13-5-3-2-4-6-13)23-18(16)20-12-21-19/h2-12H,1H3
InChIKeyAZHNNDZNKHMRST-UHFFFAOYSA-N
XLogP5.05
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenoxy)-6-phenylfuro[2,3-d]pyrimidine
CID 1481287
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 134154708
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
8-(4-methoxyphenyl)-6-phenylsulfanyl-7H-purine
CID 118537732
6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
CID 11486407
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
N-(4-imino-6-phenylfuro[2,3-d]pyrimidin-3-yl)-4-methoxybenzamide
CID 170835638

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine (CID 3326053) is 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine is COc1ccc(Sc2ncnc3oc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine?
The InChIKey is AZHNNDZNKHMRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-22-14-7-9-15(10-8-14)24-19-16-11-17(13-5-3-2-4-6-13)23-18(16)20-12-21-19/h2-12H,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine?
4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine has a molecular weight of 334.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 3326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).