4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C15H13N3O3S — CID 28854879

IUPAC4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N(C)c3ccc(O)cc3)c12
InChIInChI=1S/C15H13N3O3S/c1-8-11-13(18(2)9-3-5-10(19)6-4-9)16-7-17-14(11)22-12(8)15(20)21/h3-7,19H,1-2H3,(H,20,21)
InChIKeyBAYKWGWCKXETKX-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.17
Rot. Bonds3

About 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28854879) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28854879
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N(C)c3ccc(O)cc3)c12
InChIInChI=1S/C15H13N3O3S/c1-8-11-13(18(2)9-3-5-10(19)6-4-9)16-7-17-14(11)22-12(8)15(20)21/h3-7,19H,1-2H3,(H,20,21)
InChIKeyBAYKWGWCKXETKX-UHFFFAOYSA-N
XLogP3.17
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 28854879) is 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(N(C)c3ccc(O)cc3)c12.
What is the InChIKey of 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BAYKWGWCKXETKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-8-11-13(18(2)9-3-5-10(19)6-4-9)16-7-17-14(11)22-12(8)15(20)21/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-N-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28854879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).