5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid

C16H15N3O3S — CID 28853924

IUPAC5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
SMILESCCc1cc2c(Nc3ccc(O)c(C(=O)O)c3)nc(C)nc2s1
InChIInChI=1S/C16H15N3O3S/c1-3-10-7-12-14(17-8(2)18-15(12)23-10)19-9-4-5-13(20)11(6-9)16(21)22/h4-7,20H,3H2,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyDOUVYFAQAFCZSX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.71
Rot. Bonds4

About 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid

5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid (PubChem CID 28853924) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
PubChem CID28853924
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
SMILESCCc1cc2c(Nc3ccc(O)c(C(=O)O)c3)nc(C)nc2s1
InChIInChI=1S/C16H15N3O3S/c1-3-10-7-12-14(17-8(2)18-15(12)23-10)19-9-4-5-13(20)11(6-9)16(21)22/h4-7,20H,3H2,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyDOUVYFAQAFCZSX-UHFFFAOYSA-N
XLogP3.71
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid
CID 28853946
N-(3-chloro-4-fluorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 35475136
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 16627283
2-hydroxy-5-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 28853968
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
4-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 16627344
2-[4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066014
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 6487537
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 1191481
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 93214091

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid (CID 28853924) is 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid is CCc1cc2c(Nc3ccc(O)c(C(=O)O)c3)nc(C)nc2s1.
What is the InChIKey of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid?
The InChIKey is DOUVYFAQAFCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-10-7-12-14(17-8(2)18-15(12)23-10)19-9-4-5-13(20)11(6-9)16(21)22/h4-7,20H,3H2,1-2H3,(H,21,22)(H,17,18,19).
What are the key properties of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid?
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid has a molecular weight of 329.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 28853924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).