2-ethyl-4-methylpyrimidine-5-carboxylic acid

C8H10N2O2 — CID 52983504

IUPAC2-ethyl-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-7-9-4-6(8(11)12)5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
InChIKeyBBVREYZUQSMPTO-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.05
Rot. Bonds2

About 2-ethyl-4-methylpyrimidine-5-carboxylic acid

2-ethyl-4-methylpyrimidine-5-carboxylic acid (PubChem CID 52983504) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-ethyl-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methylpyrimidine-5-carboxylic acid
PubChem CID52983504
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-ethyl-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-7-9-4-6(8(11)12)5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
InChIKeyBBVREYZUQSMPTO-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 2-ethyl-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methylpyrimidine-5-carboxylic acid (CID 52983504) is 2-ethyl-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methylpyrimidine-5-carboxylic acid is CCc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-ethyl-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is BBVREYZUQSMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-7-9-4-6(8(11)12)5(2)10-7/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-4-methylpyrimidine-5-carboxylic acid?
2-ethyl-4-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 2-ethyl-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 52983504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).