2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid

C10H6N4O4 — CID 69229415

IUPAC2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncc(C(=O)O)cn2)nc1
InChIInChI=1S/C10H6N4O4/c15-9(16)5-1-11-7(12-2-5)8-13-3-6(4-14-8)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyJTWBNEYEWPPXFT-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.33
Rot. Bonds3

About 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid

2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 69229415) has the molecular formula C10H6N4O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID69229415
Molecular FormulaC10H6N4O4
Molecular Weight246.18 g/mol
Exact Mass246.04
IUPAC Name2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncc(C(=O)O)cn2)nc1
InChIInChI=1S/C10H6N4O4/c15-9(16)5-1-11-7(12-2-5)8-13-3-6(4-14-8)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyJTWBNEYEWPPXFT-UHFFFAOYSA-N
XLogP0.33
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid (CID 69229415) is 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ncc(C(=O)O)cn2)nc1.
What is the InChIKey of 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is JTWBNEYEWPPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4/c15-9(16)5-1-11-7(12-2-5)8-13-3-6(4-14-8)10(17)18/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid?
2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 246.18 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carboxypyrimidin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 69229415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).