6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C14H15N3O2S — CID 82170256

IUPAC6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCCC2)nc(-c2cccs2)n1
InChIInChI=1S/C14H15N3O2S/c18-14(19)10-9-12(17-6-2-1-3-7-17)16-13(15-10)11-5-4-8-20-11/h4-5,8-9H,1-3,6-7H2,(H,18,19)
InChIKeyPNAQASLWCLPOLK-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds3

About 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid

6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 82170256) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID82170256
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCCC2)nc(-c2cccs2)n1
InChIInChI=1S/C14H15N3O2S/c18-14(19)10-9-12(17-6-2-1-3-7-17)16-13(15-10)11-5-4-8-20-11/h4-5,8-9H,1-3,6-7H2,(H,18,19)
InChIKeyPNAQASLWCLPOLK-UHFFFAOYSA-N
XLogP2.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Fluorophenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 66065736
2-[(4-Fluorophenyl)sulfanylmethyl]-6-methylpyrimidine-4-carboxylic acid
CID 66065737
2-[(3-Fluorophenyl)sulfanylmethyl]-6-methylpyrimidine-4-carboxylic acid
CID 66070259
2-[(3-Fluorophenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 66073366
2-[(2-Fluorophenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 66083259
2-[(2-Fluorophenyl)sulfanylmethyl]-6-methylpyrimidine-4-carboxylic acid
CID 66083453
2-[5-(Difluoromethyl)thiophen-3-yl]pyrimidine-4-carboxylic acid
CID 165720812
2-[5-(Difluoromethyl)thiophen-2-yl]pyrimidine-4-carboxylic acid
CID 165833209
2-(4-Thiophen-2-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167850529
2-Methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 53487294
4-Amino-2-thiophen-2-ylpyrimidine-6-carboxylic acid
CID 58291707
6-Chloro-2-(thiophen-2-YL)pyrimidine-4-carboxylic acid
CID 58291709

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 82170256) is 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(N2CCCCC2)nc(-c2cccs2)n1.
What is the InChIKey of 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is PNAQASLWCLPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(19)10-9-12(17-6-2-1-3-7-17)16-13(15-10)11-5-4-8-20-11/h4-5,8-9H,1-3,6-7H2,(H,18,19).
What are the key properties of 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).