1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

C16H19ClN4O3 — CID 7461560

IUPAC1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCN(C)C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-10(18-8-9-20(2)3)13-14(22)19-16(24)21(15(13)23)12-6-4-11(17)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,19,22,24)/b18-10+
InChIKeyANXNMQFZUYPGAD-VCHYOVAHSA-N
MW350.81 g/mol
LogP1.56
Rot. Bonds5

About 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461560) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461560
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCN(C)C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-10(18-8-9-20(2)3)13-14(22)19-16(24)21(15(13)23)12-6-4-11(17)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,19,22,24)/b18-10+
InChIKeyANXNMQFZUYPGAD-VCHYOVAHSA-N
XLogP1.56
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461560) is 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CCN(C)C)C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ANXNMQFZUYPGAD-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-10(18-8-9-20(2)3)13-14(22)19-16(24)21(15(13)23)12-6-4-11(17)5-7-12/h4-7,13H,8-9H2,1-3H3,(H,19,22,24)/b18-10+.
What are the key properties of 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 350.81 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).