2,5-dimethylpyrimidine-4-carboxylic acid

C7H8N2O2 — CID 45082030

IUPAC2,5-dimethylpyrimidine-4-carboxylic acid
SMILESCc1ncc(C)c(C(=O)O)n1
InChIInChI=1S/C7H8N2O2/c1-4-3-8-5(2)9-6(4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKeyKIVBPBLMMSLLDY-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.79
Rot. Bonds1

About 2,5-dimethylpyrimidine-4-carboxylic acid

2,5-dimethylpyrimidine-4-carboxylic acid (PubChem CID 45082030) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,5-dimethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethylpyrimidine-4-carboxylic acid
PubChem CID45082030
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2,5-dimethylpyrimidine-4-carboxylic acid
SMILESCc1ncc(C)c(C(=O)O)n1
InChIInChI=1S/C7H8N2O2/c1-4-3-8-5(2)9-6(4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKeyKIVBPBLMMSLLDY-UHFFFAOYSA-N
XLogP0.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrimidine-4-carboxylic acid?
The IUPAC name of 2,5-dimethylpyrimidine-4-carboxylic acid (CID 45082030) is 2,5-dimethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,5-dimethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2,5-dimethylpyrimidine-4-carboxylic acid is Cc1ncc(C)c(C(=O)O)n1.
What is the InChIKey of 2,5-dimethylpyrimidine-4-carboxylic acid?
The InChIKey is KIVBPBLMMSLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-3-8-5(2)9-6(4)7(10)11/h3H,1-2H3,(H,10,11).
What are the key properties of 2,5-dimethylpyrimidine-4-carboxylic acid?
2,5-dimethylpyrimidine-4-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 45082030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).