1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

C11H14ClN3O2 — CID 171705611

IUPAC1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCc1ccc(N)cc1N1CCC(=O)NC1=O.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(12)6-9(7)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H
InChIKeyDCVSVJAWHPHGPH-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.45
Rot. Bonds1

About 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 171705611) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID171705611
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCc1ccc(N)cc1N1CCC(=O)NC1=O.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(12)6-9(7)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H
InChIKeyDCVSVJAWHPHGPH-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
1-(5-amino-2-methylphenyl)piperidine-2,6-dione
CID 28930804
1-(5-amino-2-methylphenyl)-3-methylimidazolidin-2-one
CID 82512426
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
CID 167474708
N,N-dimethylethanamine;2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetaldehyde
CID 172604910
1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167913987
1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
CID 167750829
5-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluoro-4-methylbenzaldehyde;methanol
CID 156707032
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
3-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]piperazin-1-yl]propanoic acid
CID 171800397
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (CID 171705611) is 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is Cc1ccc(N)cc1N1CCC(=O)NC1=O.Cl.
What is the InChIKey of 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is DCVSVJAWHPHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(12)6-9(7)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H.
What are the key properties of 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 171705611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).