[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C15H14ClN3O6 — CID 23931648

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H14ClN3O6/c1-7-3-9(11(24-2)4-8(7)16)17-13(21)6-25-14(22)10-5-12(20)19-15(23)18-10/h3-5H,6H2,1-2H3,(H,17,21)(H2,18,19,20,23)
InChIKeyVHQHVWDASMZXPG-UHFFFAOYSA-N
MW367.75 g/mol
LogP0.83
Rot. Bonds5

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23931648) has the molecular formula C15H14ClN3O6 and a molecular weight of 367.75 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23931648
Molecular FormulaC15H14ClN3O6
Molecular Weight367.75 g/mol
Exact Mass367.06
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H14ClN3O6/c1-7-3-9(11(24-2)4-8(7)16)17-13(21)6-25-14(22)10-5-12(20)19-15(23)18-10/h3-5H,6H2,1-2H3,(H,17,21)(H2,18,19,20,23)
InChIKeyVHQHVWDASMZXPG-UHFFFAOYSA-N
XLogP0.83
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2344672
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 7801501
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772221
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2636872
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
CID 42984985
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619519
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23931648) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is VHQHVWDASMZXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O6/c1-7-3-9(11(24-2)4-8(7)16)17-13(21)6-25-14(22)10-5-12(20)19-15(23)18-10/h3-5H,6H2,1-2H3,(H,17,21)(H2,18,19,20,23).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 367.75 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23931648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).