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

C12H15N3O3 — CID 78236637

IUPAC6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccccc1CN1C(=O)NC(=O)CC1N
InChIInChI=1S/C12H15N3O3/c1-18-9-5-3-2-4-8(9)7-15-10(13)6-11(16)14-12(15)17/h2-5,10H,6-7,13H2,1H3,(H,14,16,17)
InChIKeyCDZAZCPXISPRNW-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.42
Rot. Bonds3

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

6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 78236637) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID78236637
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccccc1CN1C(=O)NC(=O)CC1N
InChIInChI=1S/C12H15N3O3/c1-18-9-5-3-2-4-8(9)7-15-10(13)6-11(16)14-12(15)17/h2-5,10H,6-7,13H2,1H3,(H,14,16,17)
InChIKeyCDZAZCPXISPRNW-UHFFFAOYSA-N
XLogP0.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946385
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
10-cycloheptyl-7-[(2-methoxyphenyl)methyl]-11-(2-oxopropyl)-2-oxa-7,10-diazatricyclo[6.3.0.01,5]undecane-3,6,9-trione
CID 46284651
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione (CID 78236637) is 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione is COc1ccccc1CN1C(=O)NC(=O)CC1N.
What is the InChIKey of 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is CDZAZCPXISPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-9-5-3-2-4-8(9)7-15-10(13)6-11(16)14-12(15)17/h2-5,10H,6-7,13H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78236637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).