1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid

C7H8N2O3 — CID 163239068

IUPAC1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(=O)n1C
InChIInChI=1S/C7H8N2O3/c1-4-8-5(7(11)12)3-6(10)9(4)2/h3H,1-2H3,(H,11,12)
InChIKeyMJCFQXUVNLSBQX-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.21
Rot. Bonds1

About 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid

1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 163239068) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID163239068
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(=O)n1C
InChIInChI=1S/C7H8N2O3/c1-4-8-5(7(11)12)3-6(10)9(4)2/h3H,1-2H3,(H,11,12)
InChIKeyMJCFQXUVNLSBQX-UHFFFAOYSA-N
XLogP-0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid (CID 163239068) is 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)cc(=O)n1C.
What is the InChIKey of 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is MJCFQXUVNLSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-5(7(11)12)3-6(10)9(4)2/h3H,1-2H3,(H,11,12).
What are the key properties of 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid?
1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 163239068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).