4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid

C16H14N4O3S — CID 59817867

IUPAC4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCOCC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H14N4O3S/c21-16(22)12-8-11-14(20-4-6-23-7-5-20)18-13(19-15(11)24-12)10-2-1-3-17-9-10/h1-3,8-9H,4-7H2,(H,21,22)
InChIKeyTVAQTCHYXHOFAZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.29
Rot. Bonds3

About 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 59817867) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID59817867
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(N3CCOCC3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H14N4O3S/c21-16(22)12-8-11-14(20-4-6-23-7-5-20)18-13(19-15(11)24-12)10-2-1-3-17-9-10/h1-3,8-9H,4-7H2,(H,21,22)
InChIKeyTVAQTCHYXHOFAZ-UHFFFAOYSA-N
XLogP2.29
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 59817867) is 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(N3CCOCC3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is TVAQTCHYXHOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-16(22)12-8-11-14(20-4-6-23-7-5-20)18-13(19-15(11)24-12)10-2-1-3-17-9-10/h1-3,8-9H,4-7H2,(H,21,22).
What are the key properties of 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 59817867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).