5-(dimethylamino)pyrimidine-2-carboxylic acid

C7H9N3O2 — CID 130139910

IUPAC5-(dimethylamino)pyrimidine-2-carboxylic acid
SMILESCN(C)c1cnc(C(=O)O)nc1
InChIInChI=1S/C7H9N3O2/c1-10(2)5-3-8-6(7(11)12)9-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyAFJPGYSJMMHNKR-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.24
Rot. Bonds2

About 5-(dimethylamino)pyrimidine-2-carboxylic acid

5-(dimethylamino)pyrimidine-2-carboxylic acid (PubChem CID 130139910) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(dimethylamino)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)pyrimidine-2-carboxylic acid
PubChem CID130139910
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(dimethylamino)pyrimidine-2-carboxylic acid
SMILESCN(C)c1cnc(C(=O)O)nc1
InChIInChI=1S/C7H9N3O2/c1-10(2)5-3-8-6(7(11)12)9-4-5/h3-4H,1-2H3,(H,11,12)
InChIKeyAFJPGYSJMMHNKR-UHFFFAOYSA-N
XLogP0.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(dimethylamino)pyrimidine-2-carboxylic acid (CID 130139910) is 5-(dimethylamino)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)pyrimidine-2-carboxylic acid is CN(C)c1cnc(C(=O)O)nc1.
What is the InChIKey of 5-(dimethylamino)pyrimidine-2-carboxylic acid?
The InChIKey is AFJPGYSJMMHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10(2)5-3-8-6(7(11)12)9-4-5/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-(dimethylamino)pyrimidine-2-carboxylic acid?
5-(dimethylamino)pyrimidine-2-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 130139910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).