2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid

C15H12N2O3S — CID 102687093

IUPAC2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1c(Oc2ncnc3c(C)csc23)cccc1C(=O)O
InChIInChI=1S/C15H12N2O3S/c1-8-6-21-13-12(8)16-7-17-14(13)20-11-5-3-4-10(9(11)2)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyQGYUINDNUGNTHC-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.80
Rot. Bonds3

About 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid

2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid (PubChem CID 102687093) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
PubChem CID102687093
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
SMILESCc1c(Oc2ncnc3c(C)csc23)cccc1C(=O)O
InChIInChI=1S/C15H12N2O3S/c1-8-6-21-13-12(8)16-7-17-14(13)20-11-5-3-4-10(9(11)2)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyQGYUINDNUGNTHC-UHFFFAOYSA-N
XLogP3.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687073
2-bromo-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyaniline
CID 102686774
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686148
3-methylthieno[3,2-b]pyridine-7-carboxylic acid
CID 131109716
3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
CID 82831120
2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol
CID 135146927
2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112
3-amino-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzonitrile
CID 102686754
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
3-acetyloxy-2-methylbenzoic acid
CID 3798557
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid (CID 102687093) is 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid is Cc1c(Oc2ncnc3c(C)csc23)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
The InChIKey is QGYUINDNUGNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-6-21-13-12(8)16-7-17-14(13)20-11-5-3-4-10(9(11)2)15(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid?
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid has a molecular weight of 300.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 102687093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).