6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione

C11H13N3O3 — CID 78442416

IUPAC6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1cccc(N2C(=O)NC(=O)CC2N)c1
InChIInChI=1S/C11H13N3O3/c1-17-8-4-2-3-7(5-8)14-9(12)6-10(15)13-11(14)16/h2-5,9H,6,12H2,1H3,(H,13,15,16)
InChIKeyAPCFIIQOBGEOKW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.43
Rot. Bonds2

About 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione

6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 78442416) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID78442416
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1cccc(N2C(=O)NC(=O)CC2N)c1
InChIInChI=1S/C11H13N3O3/c1-17-8-4-2-3-7(5-8)14-9(12)6-10(15)13-11(14)16/h2-5,9H,6,12H2,1H3,(H,13,15,16)
InChIKeyAPCFIIQOBGEOKW-UHFFFAOYSA-N
XLogP0.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 44509447
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
1-(3-methoxyphenyl)pyrazolidine-3,5-dione
CID 71563531
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
1-[3-(3-hydroxy-1,4-dioxonaphthalen-2-yl)oxyphenyl]-6-methyl-1,3-diazinane-2,4-dione
CID 137178573
(3aS,6aR)-3-(3-methoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 6560011
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
(4aR,7aS)-4-(3-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 22690170
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 78442416) is 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1cccc(N2C(=O)NC(=O)CC2N)c1.
What is the InChIKey of 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is APCFIIQOBGEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-8-4-2-3-7(5-8)14-9(12)6-10(15)13-11(14)16/h2-5,9H,6,12H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione?
6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78442416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).