2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid

C10H11N3O3 — CID 117212993

IUPAC2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCC2)n1
InChIInChI=1S/C10H11N3O3/c14-9(13-5-1-2-6-13)8-11-4-3-7(12-8)10(15)16/h3-4H,1-2,5-6H2,(H,15,16)
InChIKeyQCLJHDDUYFFYDR-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.41
Rot. Bonds2

About 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid

2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid (PubChem CID 117212993) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
PubChem CID117212993
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCC2)n1
InChIInChI=1S/C10H11N3O3/c14-9(13-5-1-2-6-13)8-11-4-3-7(12-8)10(15)16/h3-4H,1-2,5-6H2,(H,15,16)
InChIKeyQCLJHDDUYFFYDR-UHFFFAOYSA-N
XLogP0.41
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidine-4-carboxylic acid
CID 117212978
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
2-methylsulfanylcarbonylpyrimidine-4-carboxylic acid
CID 117213059
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid (CID 117212993) is 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCCC2)n1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
The InChIKey is QCLJHDDUYFFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(13-5-1-2-6-13)8-11-4-3-7(12-8)10(15)16/h3-4H,1-2,5-6H2,(H,15,16).
What are the key properties of 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid?
2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 117212993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).