2,4-diethylpyrimidine-5-carboxylate

C9H11N2O2- — CID 71434686

IUPAC2,4-diethylpyrimidine-5-carboxylate
SMILESCCc1ncc(C(=O)[O-])c(CC)n1
InChIInChI=1S/C9H12N2O2/c1-3-7-6(9(12)13)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,12,13)/p-1
InChIKeyDGJJPZDDUGELKR-UHFFFAOYSA-M
MW179.20 g/mol
LogP-0.04
Rot. Bonds3

About 2,4-diethylpyrimidine-5-carboxylate

2,4-diethylpyrimidine-5-carboxylate (PubChem CID 71434686) has the molecular formula C9H11N2O2- and a molecular weight of 179.20 g/mol. Its IUPAC name is 2,4-diethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name2,4-diethylpyrimidine-5-carboxylate
PubChem CID71434686
Molecular FormulaC9H11N2O2-
Molecular Weight179.20 g/mol
Exact Mass179.08
IUPAC Name2,4-diethylpyrimidine-5-carboxylate
SMILESCCc1ncc(C(=O)[O-])c(CC)n1
InChIInChI=1S/C9H12N2O2/c1-3-7-6(9(12)13)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,12,13)/p-1
InChIKeyDGJJPZDDUGELKR-UHFFFAOYSA-M
XLogP-0.04
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-ethylpyrimidine-5-carboxylic acid
CID 79412123
2,4-diethyl-5-methylpyrimidine
CID 59174285
6-tert-butyl-2-ethylpyridine-3,4-dicarboxylate
CID 6947394
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 103150191
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 66148532
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
4-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 66098245

Frequently Asked Questions

What is the IUPAC name of 2,4-diethylpyrimidine-5-carboxylate?
The IUPAC name of 2,4-diethylpyrimidine-5-carboxylate (CID 71434686) is 2,4-diethylpyrimidine-5-carboxylate.
What is the SMILES notation for 2,4-diethylpyrimidine-5-carboxylate?
The canonical SMILES for 2,4-diethylpyrimidine-5-carboxylate is CCc1ncc(C(=O)[O-])c(CC)n1.
What is the InChIKey of 2,4-diethylpyrimidine-5-carboxylate?
The InChIKey is DGJJPZDDUGELKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O2/c1-3-7-6(9(12)13)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2,4-diethylpyrimidine-5-carboxylate?
2,4-diethylpyrimidine-5-carboxylate has a molecular weight of 179.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylpyrimidine-5-carboxylate is sourced from PubChem (CID 71434686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).