1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione

C13H15ClN2O4 — CID 79778169

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCOc1cc(OC)c(N2CC(C)C(=O)NC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-7-6-16(13(18)15-12(7)17)9-4-8(14)10(19-2)5-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,17,18)
InChIKeyRHEJUMYEJONSNV-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione

1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79778169) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79778169
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCOc1cc(OC)c(N2CC(C)C(=O)NC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-7-6-16(13(18)15-12(7)17)9-4-8(14)10(19-2)5-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,17,18)
InChIKeyRHEJUMYEJONSNV-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777179
1-(5-chloro-2,4-dimethoxyphenyl)pyrrolidine-2,4-dione
CID 79517267
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
(5S)-1-(2-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 850225
1-(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777663
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301
1-(4-fluoro-2-iodophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776948
1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777988
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
(1R,5S,6S,7S)-3-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 1417900
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 42904814
(1S,2S,6S,7R)-4-(4-chloro-2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541716

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79778169) is 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione is COc1cc(OC)c(N2CC(C)C(=O)NC2=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is RHEJUMYEJONSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-7-6-16(13(18)15-12(7)17)9-4-8(14)10(19-2)5-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,17,18).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 298.73 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).