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

C14H17N3O2S — CID 2948575

IUPAC5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C14H17N3O2S/c1-8-5-3-4-6-17(8)12-10-9(2)11(14(18)19)20-13(10)16-7-15-12/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyOWFSMYUADCOWLZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.08
Rot. Bonds2

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

5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 2948575) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID2948575
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12
InChIInChI=1S/C14H17N3O2S/c1-8-5-3-4-6-17(8)12-10-9(2)11(14(18)19)20-13(10)16-7-15-12/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyOWFSMYUADCOWLZ-UHFFFAOYSA-N
XLogP3.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Fluoro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118242667
5-Methyl-4-(Methylamino)-2-(2-Phenylethyl)thieno[2,3-D]pyrimidine-6-Carboxylic Acid
CID 124201650
Ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 714518
Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733150
4-(4-Benzylpiperidino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 1478199
1-[2-(6-Methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 2406693
Ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3236381
N,N-diethyl-6-[(2-ethylpiperidin-1-yl)carbonyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 3280283
5-Methyl-4-(2-methylpiperidin-1-yl)-6-[(3-methylpiperidin-1-yl)carbonyl]thieno[2,3-d]pyrimidine
CID 3532339
4-[(4-Fluorophenyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855509
4-[(1,5-Dimethyl-2-oxo-3-pyridinyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118734653
5-Methyl-4-[(1-methyl-6-oxo-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118734662

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 2948575) is 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12.
What is the InChIKey of 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is OWFSMYUADCOWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-5-3-4-6-17(8)12-10-9(2)11(14(18)19)20-13(10)16-7-15-12/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 2948575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).