(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione

C19H26N4O3 — CID 7368008

IUPAC(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1cc(C)c(N2C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C2=O)c(C)c1
InChIInChI=1S/C19H26N4O3/c1-12-9-13(2)16(14(3)10-12)23-18(25)15(17(24)21-19(23)26)11-20-7-6-8-22(4)5/h9-11,15H,6-8H2,1-5H3,(H,21,24,26)/b20-11+/t15-/m1/s1
InChIKeyHYVLCOCEYANREO-PZUDMAOCSA-N
MW358.44 g/mol
LogP1.83
Rot. Bonds6

About (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione

(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7368008) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID7368008
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1cc(C)c(N2C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C2=O)c(C)c1
InChIInChI=1S/C19H26N4O3/c1-12-9-13(2)16(14(3)10-12)23-18(25)15(17(24)21-19(23)26)11-20-7-6-8-22(4)5/h9-11,15H,6-8H2,1-5H3,(H,21,24,26)/b20-11+/t15-/m1/s1
InChIKeyHYVLCOCEYANREO-PZUDMAOCSA-N
XLogP1.83
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione (CID 7368008) is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione is Cc1cc(C)c(N2C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C2=O)c(C)c1.
What is the InChIKey of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HYVLCOCEYANREO-PZUDMAOCSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-9-13(2)16(14(3)10-12)23-18(25)15(17(24)21-19(23)26)11-20-7-6-8-22(4)5/h9-11,15H,6-8H2,1-5H3,(H,21,24,26)/b20-11+/t15-/m1/s1.
What are the key properties of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione?
(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 358.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-(2,4,6-trimethylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).