4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid

C13H13N3O2S — CID 82169283

IUPAC4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccs2)nc1N1CCCC1
InChIInChI=1S/C13H13N3O2S/c17-13(18)9-8-14-11(10-4-3-7-19-10)15-12(9)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyFFTYMPRSPUEEQX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.50
Rot. Bonds3

About 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid

4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid (PubChem CID 82169283) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
PubChem CID82169283
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccs2)nc1N1CCCC1
InChIInChI=1S/C13H13N3O2S/c17-13(18)9-8-14-11(10-4-3-7-19-10)15-12(9)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyFFTYMPRSPUEEQX-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770049
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
CID 15314346
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18169739

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid (CID 82169283) is 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cccs2)nc1N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is FFTYMPRSPUEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(18)9-8-14-11(10-4-3-7-19-10)15-12(9)16-5-1-2-6-16/h3-4,7-8H,1-2,5-6H2,(H,17,18).
What are the key properties of 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid?
4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).