2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

C17H19N3O4 — CID 53214897

IUPAC2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-23-13-6-5-11(9-14(13)24-2)15-18-10-12(17(21)22)16(19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyPSGOOMRMGAXZAK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.46
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 53214897) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID53214897
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1OC
InChIInChI=1S/C17H19N3O4/c1-23-13-6-5-11(9-14(13)24-2)15-18-10-12(17(21)22)16(19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyPSGOOMRMGAXZAK-UHFFFAOYSA-N
XLogP2.46
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
N-(2-methylpropyl)-4-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42670243
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42672046
4-pyrrolidin-1-yl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82169283
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (CID 53214897) is 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is COc1ccc(-c2ncc(C(=O)O)c(N3CCCC3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is PSGOOMRMGAXZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-13-6-5-11(9-14(13)24-2)15-18-10-12(17(21)22)16(19-15)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).