2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid

C14H10N2O3S — CID 61395524

IUPAC2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H10N2O3S/c17-12(18)7-9-1-3-10(4-2-9)19-13-11-5-6-20-14(11)16-8-15-13/h1-6,8H,7H2,(H,17,18)
InChIKeyLYBQGFLVWPSXKA-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid

2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid (PubChem CID 61395524) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
PubChem CID61395524
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H10N2O3S/c17-12(18)7-9-1-3-10(4-2-9)19-13-11-5-6-20-14(11)16-8-15-13/h1-6,8H,7H2,(H,17,18)
InChIKeyLYBQGFLVWPSXKA-UHFFFAOYSA-N
XLogP3.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 9112729
N-pyridin-3-yl-4-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 56820177
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
methyl 2-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)acetate
CID 24561411
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide
CID 35885039
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetic acid
CID 140557880

Frequently Asked Questions

What is the IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid?
The IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid (CID 61395524) is 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid is O=C(O)Cc1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid?
The InChIKey is LYBQGFLVWPSXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-12(18)7-9-1-3-10(4-2-9)19-13-11-5-6-20-14(11)16-8-15-13/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid?
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid has a molecular weight of 286.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid is sourced from PubChem (CID 61395524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).