2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

C17H19N3O2 — CID 82169279

IUPAC2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCCc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-12-5-7-13(8-6-12)15-18-11-14(17(21)22)16(19-15)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyRTXFFTBUWDVTMW-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 82169279) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID82169279
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCCc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-12-5-7-13(8-6-12)15-18-11-14(17(21)22)16(19-15)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyRTXFFTBUWDVTMW-UHFFFAOYSA-N
XLogP3.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
4-(diethylamino)-2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
CID 82169267
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82169283

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (CID 82169279) is 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is CCc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is RTXFFTBUWDVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-12-5-7-13(8-6-12)15-18-11-14(17(21)22)16(19-15)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,21,22).
What are the key properties of 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).