6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid

C10H13N3O3 — CID 165461460

IUPAC6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(CN2CCCC2)n1
InChIInChI=1S/C10H13N3O3/c14-9-5-7(10(15)16)11-8(12-9)6-13-3-1-2-4-13/h5H,1-4,6H2,(H,15,16)(H,11,12,14)
InChIKeyMMXFGCNFFYAOHL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.06
Rot. Bonds3

About 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid

6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid (PubChem CID 165461460) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid
PubChem CID165461460
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(CN2CCCC2)n1
InChIInChI=1S/C10H13N3O3/c14-9-5-7(10(15)16)11-8(12-9)6-13-3-1-2-4-13/h5H,1-4,6H2,(H,15,16)(H,11,12,14)
InChIKeyMMXFGCNFFYAOHL-UHFFFAOYSA-N
XLogP0.06
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid (CID 165461460) is 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(CN2CCCC2)n1.
What is the InChIKey of 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid?
The InChIKey is MMXFGCNFFYAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-7(10(15)16)11-8(12-9)6-13-3-1-2-4-13/h5H,1-4,6H2,(H,15,16)(H,11,12,14).
What are the key properties of 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid?
6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165461460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).