5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione

C12H14N2O4 — CID 106110763

IUPAC5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccccc1N1C(=O)NCC(OC)C1=O
InChIInChI=1S/C12H14N2O4/c1-17-9-6-4-3-5-8(9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)
InChIKeyDESOUPAHBYQMSS-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.77
Rot. Bonds3

About 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione

5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 106110763) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID106110763
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccccc1N1C(=O)NCC(OC)C1=O
InChIInChI=1S/C12H14N2O4/c1-17-9-6-4-3-5-8(9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)
InChIKeyDESOUPAHBYQMSS-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 106110759
5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 114144840
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
(3aR,4R,7R,7aS)-2-(2-methoxyphenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98198039
3-(2-methoxyphenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 43558028
(5R)-5-acetyl-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 98095450
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434508
(3S)-3-amino-1-(2-methoxyphenyl)piperidine-2,6-dione
CID 39221193
4-(2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2829122
(1S,2S,6R,7S,8S,10R)-4-(2-methoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124715203
(1S,2R,3S,7S,8S,9R,10S,14R)-5,12-bis(2-methoxyphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 124722645

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 106110763) is 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1ccccc1N1C(=O)NCC(OC)C1=O.
What is the InChIKey of 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is DESOUPAHBYQMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-9-6-4-3-5-8(9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16).
What are the key properties of 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione?
5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 106110763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).