2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H24Cl2N4O3 — CID 137016807

IUPAC2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C20H24Cl2N4O3/c1-6-26(10-14(27)24-16-12(21)8-7-9-13(16)22)18(29)15-11(2)23-19(20(3,4)5)25-17(15)28/h7-9H,6,10H2,1-5H3,(H,24,27)(H,23,25,28)
InChIKeyGAONYUXQWSQGPE-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.78
Rot. Bonds5

About 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137016807) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137016807
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Name2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C20H24Cl2N4O3/c1-6-26(10-14(27)24-16-12(21)8-7-9-13(16)22)18(29)15-11(2)23-19(20(3,4)5)25-17(15)28/h7-9H,6,10H2,1-5H3,(H,24,27)(H,23,25,28)
InChIKeyGAONYUXQWSQGPE-UHFFFAOYSA-N
XLogP3.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 31713038
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759204
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 31713151
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
CID 52639892
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 137016807) is 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GAONYUXQWSQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-6-26(10-14(27)24-16-12(21)8-7-9-13(16)22)18(29)15-11(2)23-19(20(3,4)5)25-17(15)28/h7-9H,6,10H2,1-5H3,(H,24,27)(H,23,25,28).
What are the key properties of 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 439.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137016807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).