2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C10H13N3O3 — CID 136967077

IUPAC2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O3/c1-13-3-2-6(5-13)9-11-7(10(15)16)4-8(14)12-9/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyWKDJXPRXBHRDPF-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.11
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 136967077) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID136967077
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O3/c1-13-3-2-6(5-13)9-11-7(10(15)16)4-8(14)12-9/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyWKDJXPRXBHRDPF-UHFFFAOYSA-N
XLogP-0.11
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 136967077) is 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is CN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is WKDJXPRXBHRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13-3-2-6(5-13)9-11-7(10(15)16)4-8(14)12-9/h4,6H,2-3,5H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 136967077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).