4,6-diethyl-2-methylpyrimidine-5-carboxylic acid

C10H14N2O2 — CID 71434909

IUPAC4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(C)nc(CC)c1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-4-7-9(10(13)14)8(5-2)12-6(3)11-7/h4-5H2,1-3H3,(H,13,14)
InChIKeyBLJFJLVCYDULOA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.61
Rot. Bonds3

About 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid

4,6-diethyl-2-methylpyrimidine-5-carboxylic acid (PubChem CID 71434909) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
PubChem CID71434909
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(C)nc(CC)c1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-4-7-9(10(13)14)8(5-2)12-6(3)11-7/h4-5H2,1-3H3,(H,13,14)
InChIKeyBLJFJLVCYDULOA-UHFFFAOYSA-N
XLogP1.61
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid (CID 71434909) is 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid is CCc1nc(C)nc(CC)c1C(=O)O.
What is the InChIKey of 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is BLJFJLVCYDULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-7-9(10(13)14)8(5-2)12-6(3)11-7/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid?
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 71434909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).