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

C14H11N3O2S — CID 6461112

IUPAC4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
SMILESCc1cc2c(Nc3ccc(C(=O)O)cc3)ncnc2s1
InChIInChI=1S/C14H11N3O2S/c1-8-6-11-12(15-7-16-13(11)20-8)17-10-4-2-9(3-5-10)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyJBWSKTQHBMURPX-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.44
Rot. Bonds3

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

4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid (PubChem CID 6461112) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
PubChem CID6461112
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
SMILESCc1cc2c(Nc3ccc(C(=O)O)cc3)ncnc2s1
InChIInChI=1S/C14H11N3O2S/c1-8-6-11-12(15-7-16-13(11)20-8)17-10-4-2-9(3-5-10)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)
InChIKeyJBWSKTQHBMURPX-UHFFFAOYSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid (CID 6461112) is 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid is Cc1cc2c(Nc3ccc(C(=O)O)cc3)ncnc2s1.
What is the InChIKey of 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid?
The InChIKey is JBWSKTQHBMURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-6-11-12(15-7-16-13(11)20-8)17-10-4-2-9(3-5-10)14(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid?
4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid has a molecular weight of 285.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 6461112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).