4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine

C20H15FN2O2S — CID 2443282

IUPAC4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1F
InChIInChI=1S/C20H15FN2O2S/c1-24-17-8-7-13(9-16(17)21)10-25-19-18-15(14-5-3-2-4-6-14)11-26-20(18)23-12-22-19/h2-9,11-12H,10H2,1H3
InChIKeyXXQWICZLECXDDW-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.09
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine

4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 2443282) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID2443282
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1F
InChIInChI=1S/C20H15FN2O2S/c1-24-17-8-7-13(9-16(17)21)10-25-19-18-15(14-5-3-2-4-6-14)11-26-20(18)23-12-22-19/h2-9,11-12H,10H2,1H3
InChIKeyXXQWICZLECXDDW-UHFFFAOYSA-N
XLogP5.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156
4-[(4-bromo-2-fluorophenyl)methoxy]-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
CID 2116030
5-(4-methylphenyl)-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2415818
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
(3-fluoro-4-methoxyphenyl)methyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
CID 9023174
5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
CID 11668030
4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 5220220
5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
CID 11538792
1-(5-fluoro-2-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1169601
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluoroaniline
CID 141284717

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine (CID 2443282) is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine is COc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is XXQWICZLECXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-24-17-8-7-13(9-16(17)21)10-25-19-18-15(14-5-3-2-4-6-14)11-26-20(18)23-12-22-19/h2-9,11-12H,10H2,1H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine?
4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 366.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2443282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).