2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid

C8H9N3O3 — CID 83391277

IUPAC2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid
SMILESCN(C)c1ncc(C(=O)C(=O)O)cn1
InChIInChI=1S/C8H9N3O3/c1-11(2)8-9-3-5(4-10-8)6(12)7(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyDPNPWBNUCYRECV-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.19
Rot. Bonds3

About 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid

2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid (PubChem CID 83391277) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid
PubChem CID83391277
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid
SMILESCN(C)c1ncc(C(=O)C(=O)O)cn1
InChIInChI=1S/C8H9N3O3/c1-11(2)8-9-3-5(4-10-8)6(12)7(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyDPNPWBNUCYRECV-UHFFFAOYSA-N
XLogP-0.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid (CID 83391277) is 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid is CN(C)c1ncc(C(=O)C(=O)O)cn1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid?
The InChIKey is DPNPWBNUCYRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-11(2)8-9-3-5(4-10-8)6(12)7(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid?
2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid has a molecular weight of 195.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid is sourced from PubChem (CID 83391277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).