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

C19H19N3O2S — CID 28849035

IUPAC1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H19N3O2S/c1-12-20-17(22-9-7-14(8-10-22)19(23)24)15-11-16(25-18(15)21-12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,23,24)
InChIKeyVSEGNRRTKBSELK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.97
Rot. Bonds3

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

1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 28849035) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID28849035
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)O)CC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H19N3O2S/c1-12-20-17(22-9-7-14(8-10-22)19(23)24)15-11-16(25-18(15)21-12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,23,24)
InChIKeyVSEGNRRTKBSELK-UHFFFAOYSA-N
XLogP3.97
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 28849035) is 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1nc(N2CCC(C(=O)O)CC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is VSEGNRRTKBSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-20-17(22-9-7-14(8-10-22)19(23)24)15-11-16(25-18(15)21-12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,23,24).
What are the key properties of 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 353.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28849035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).