4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid

C14H13N3O4 — CID 20982058

IUPAC4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)nc(-c2ccccc2[N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-3-10-12(14(18)19)13(16-8(2)15-10)9-6-4-5-7-11(9)17(20)21/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQCLYJXOGVPMTNF-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.62
Rot. Bonds4

About 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid

4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid (PubChem CID 20982058) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid
PubChem CID20982058
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)nc(-c2ccccc2[N+](=O)[O-])c1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-3-10-12(14(18)19)13(16-8(2)15-10)9-6-4-5-7-11(9)17(20)21/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQCLYJXOGVPMTNF-UHFFFAOYSA-N
XLogP2.62
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909
ethyl 4-methyl-6-(2-nitrophenyl)-2-phenylpyrimidine-5-carboxylate
CID 15147510
4-ethyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylic acid
CID 10427877
2-amino-N,4-dimethyl-6-(2-nitrophenyl)pyrimidine-5-carboxamide
CID 54853757
ethyl 2-methyl-4-(2-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 153385827
ethyl 3,5-bis(2-nitrophenyl)-1,2-oxazole-4-carboxylate
CID 131867680
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
2-[(4-methylphenyl)sulfanylmethyl]-6-nitrobenzoic acid
CID 104825186
2-nitro-6-(3-oxobutyl)benzoic acid
CID 174642926
6-(2-nitrophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533517
3-methyl-5-(2-nitrophenyl)-1,2,4-triazole-4-carboxylic acid
CID 174594366
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid (CID 20982058) is 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid is CCc1nc(C)nc(-c2ccccc2[N+](=O)[O-])c1C(=O)O.
What is the InChIKey of 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid?
The InChIKey is QCLYJXOGVPMTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-3-10-12(14(18)19)13(16-8(2)15-10)9-6-4-5-7-11(9)17(20)21/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid?
4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 20982058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).