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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Related Compounds

4-amino-2,6-diethyl-5-methylpyridine-3-carboxylic acid
CID 68536975
4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid
CID 45122541
4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid
CID 20982058
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
4,6-dichloro-2-ethylpyridine-3-carboxylic acid
CID 122407739
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
4-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 58781566
(6-ethyl-5-iodo-2-pyridinyl)carbamic acid
CID 150133379
5-(bromomethyl)-4,6-diethylpyridine-2,3-dicarboxylic acid
CID 175543580
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
CID 130679243
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
CID 58078164

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).