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

C11H13N3O3 — CID 44509447

IUPAC6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(=O)CC2N)cc1
InChIInChI=1S/C11H13N3O3/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h2-5,9H,6,12H2,1H3,(H,13,15,16)
InChIKeyFMNVSILQOVAXPS-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.43
Rot. Bonds2

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

6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 44509447) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID44509447
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(=O)CC2N)cc1
InChIInChI=1S/C11H13N3O3/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h2-5,9H,6,12H2,1H3,(H,13,15,16)
InChIKeyFMNVSILQOVAXPS-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-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 78442416
6-ethyl-1-(4-phenoxyphenyl)-1,3-diazinane-2,4-dione
CID 149162477
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
(4S,5R)-4-bromo-5-hydroxy-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10891443
3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 66244482
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(4R)-4-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 71082337
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(2S)-3,3-dichloro-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 101046905
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 44509447) is 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1ccc(N2C(=O)NC(=O)CC2N)cc1.
What is the InChIKey of 6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is FMNVSILQOVAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-8-4-2-7(3-5-8)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-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
6-amino-1-(4-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-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 44509447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).