3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid

C14H17N3O2S — CID 107070440

IUPAC3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc2c(N3CCCC(C)C3C(=O)O)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyDTZCDZRIRJZRMA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.69
Rot. Bonds2

About 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid

3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 107070440) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID107070440
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc2c(N3CCCC(C)C3C(=O)O)ncnc2s1
InChIInChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19)
InChIKeyDTZCDZRIRJZRMA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 167953503
N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 133382268
3-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070339
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
1-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
1-isoquinolin-1-yl-3-methylpiperidine-2-carboxylic acid
CID 107070279

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 107070440) is 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1cc2c(N3CCCC(C)C3C(=O)O)ncnc2s1.
What is the InChIKey of 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is DTZCDZRIRJZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-4-3-5-17(11(8)14(18)19)12-10-6-9(2)20-13(10)16-7-15-12/h6-8,11H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107070440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).