4-ethyl-6-methylpyrimidine-5-carboxylic acid

C8H10N2O2 — CID 58781566

IUPAC4-ethyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1ncnc(C)c1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-3-6-7(8(11)12)5(2)9-4-10-6/h4H,3H2,1-2H3,(H,11,12)
InChIKeySRXACMMCFHGABY-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.05
Rot. Bonds2

About 4-ethyl-6-methylpyrimidine-5-carboxylic acid

4-ethyl-6-methylpyrimidine-5-carboxylic acid (PubChem CID 58781566) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-ethyl-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6-methylpyrimidine-5-carboxylic acid
PubChem CID58781566
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-ethyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1ncnc(C)c1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-3-6-7(8(11)12)5(2)9-4-10-6/h4H,3H2,1-2H3,(H,11,12)
InChIKeySRXACMMCFHGABY-UHFFFAOYSA-N
XLogP1.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-6-methylpyrimidine-5-carboxylic acid (CID 58781566) is 4-ethyl-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-6-methylpyrimidine-5-carboxylic acid is CCc1ncnc(C)c1C(=O)O.
What is the InChIKey of 4-ethyl-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is SRXACMMCFHGABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-6-7(8(11)12)5(2)9-4-10-6/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-6-methylpyrimidine-5-carboxylic acid?
4-ethyl-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 58781566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).