4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C15H11FN2O3S — CID 134708059

IUPAC4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ncnc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C15H11FN2O3S/c1-7-11-12(9-5-8(16)3-4-10(9)21-2)17-6-18-14(11)22-13(7)15(19)20/h3-6H,1-2H3,(H,19,20)
InChIKeyQBHRPMIOPTZYSS-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.51
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 134708059) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID134708059
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(F)cc1-c1ncnc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C15H11FN2O3S/c1-7-11-12(9-5-8(16)3-4-10(9)21-2)17-6-18-14(11)22-13(7)15(19)20/h3-6H,1-2H3,(H,19,20)
InChIKeyQBHRPMIOPTZYSS-UHFFFAOYSA-N
XLogP3.51
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
4-[2-(1-carboxyethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141309514
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
5-methyl-4-(3,4,5-trimethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 22582739
4-(2-methoxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855583
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
4-[4-fluoro-2-(2-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 67389815
4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421506
[4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 138580820
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421486
4-[2-[[(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy]-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421630
4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854879

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 134708059) is 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is COc1ccc(F)cc1-c1ncnc2sc(C(=O)O)c(C)c12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QBHRPMIOPTZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c1-7-11-12(9-5-8(16)3-4-10(9)21-2)17-6-18-14(11)22-13(7)15(19)20/h3-6H,1-2H3,(H,19,20).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134708059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).