4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C19H20N4O2S — CID 28854743

IUPAC4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C19H20N4O2S/c1-13-15-17(20-12-21-18(15)26-16(13)19(24)25)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25)
InChIKeyLQNMLUUYJVSQOV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.02
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28854743) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28854743
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C19H20N4O2S/c1-13-15-17(20-12-21-18(15)26-16(13)19(24)25)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25)
InChIKeyLQNMLUUYJVSQOV-UHFFFAOYSA-N
XLogP3.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-benzylpiperazin-1-yl)-5-methylthieno[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

Related Compounds

5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854788
N-benzyl-N,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344618
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 24789937
4-(azepan-1-yl)-N-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585757
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344725
(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 92848582
5-methyl-N-(4-phenylbutan-2-yl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344835
5-methyl-N-(3-phenylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344866
5-methyl-4-(4-methyl-3-oxopiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 64694890
(4-benzylpiperazin-1-yl)-[4-(diethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617150
4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
CID 20873474
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 28854743) is 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(N3CCN(Cc4ccccc4)CC3)c12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is LQNMLUUYJVSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-15-17(20-12-21-18(15)26-16(13)19(24)25)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28854743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).