5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid

C19H20N4O2S — CID 28855759

IUPAC5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3ccc(N4CCCCC4)cc3)c12
InChIInChI=1S/C19H20N4O2S/c1-12-15-17(20-11-21-18(15)26-16(12)19(24)25)22-13-5-7-14(8-6-13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,24,25)(H,20,21,22)
InChIKeyWFKNPSSPXXMPSJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.43
Rot. Bonds4

About 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28855759) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28855759
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(Nc3ccc(N4CCCCC4)cc3)c12
InChIInChI=1S/C19H20N4O2S/c1-12-15-17(20-11-21-18(15)26-16(12)19(24)25)22-13-5-7-14(8-6-13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,24,25)(H,20,21,22)
InChIKeyWFKNPSSPXXMPSJ-UHFFFAOYSA-N
XLogP4.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethylphenyl)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012118
5-methyl-4-(3,4,5-trimethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 22582739
methyl 4-(4-chloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 20998710
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
[4-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501335
ethyl 4-(4-ethoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791805
6-methyl-N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 1193255
cyclohexyl 5-methyl-4-(4-phenylmethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 21012172
cyclohexyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 21011150
ethyl 4-(4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 2791806
methyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 21011133
ethyl 4-(4-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1193202

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 28855759) is 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(Nc3ccc(N4CCCCC4)cc3)c12.
What is the InChIKey of 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is WFKNPSSPXXMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-15-17(20-11-21-18(15)26-16(12)19(24)25)22-13-5-7-14(8-6-13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,24,25)(H,20,21,22).
What are the key properties of 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28855759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).