6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide

C13H12N4O4 — CID 121167331

IUPAC6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C13H12N4O4/c1-8-4-3-5-10(17(19)20)12(8)16-13(18)9-6-11(21-2)15-7-14-9/h3-7H,1-2H3,(H,16,18)
InChIKeyFLATVMBRALKPDT-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.95
Rot. Bonds4

About 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide

6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide (PubChem CID 121167331) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide
PubChem CID121167331
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C13H12N4O4/c1-8-4-3-5-10(17(19)20)12(8)16-13(18)9-6-11(21-2)15-7-14-9/h3-7H,1-2H3,(H,16,18)
InChIKeyFLATVMBRALKPDT-UHFFFAOYSA-N
XLogP1.95
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 121167403

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide (CID 121167331) is 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])ncn1.
What is the InChIKey of 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide?
The InChIKey is FLATVMBRALKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-8-4-3-5-10(17(19)20)12(8)16-13(18)9-6-11(21-2)15-7-14-9/h3-7H,1-2H3,(H,16,18).
What are the key properties of 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide?
6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).