1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid

C15H19N3O2S — CID 114422383

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCc1sc2ncnc(N3CCC(C)CC3C(=O)O)c2c1C
InChIInChI=1S/C15H19N3O2S/c1-8-4-5-18(11(6-8)15(19)20)13-12-9(2)10(3)21-14(12)17-7-16-13/h7-8,11H,4-6H2,1-3H3,(H,19,20)
InChIKeyMQUMLHITAIQESM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.00
Rot. Bonds2

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422383) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114422383
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCc1sc2ncnc(N3CCC(C)CC3C(=O)O)c2c1C
InChIInChI=1S/C15H19N3O2S/c1-8-4-5-18(11(6-8)15(19)20)13-12-9(2)10(3)21-14(12)17-7-16-13/h7-8,11H,4-6H2,1-3H3,(H,19,20)
InChIKeyMQUMLHITAIQESM-UHFFFAOYSA-N
XLogP3.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid (CID 114422383) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid is Cc1sc2ncnc(N3CCC(C)CC3C(=O)O)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MQUMLHITAIQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-4-5-18(11(6-8)15(19)20)13-12-9(2)10(3)21-14(12)17-7-16-13/h7-8,11H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).