1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride

C14H19ClN4O — CID 57354373

IUPAC1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride
SMILESCN(N=CC1C=C[NH+](C)C(=O)N1C)c1ccccc1.[Cl-]
InChIInChI=1S/C14H18N4O.ClH/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12;/h4-11,13H,1-3H3;1H
InChIKeyVTNDVRYGYRYJKM-UHFFFAOYSA-N
MW294.79 g/mol
LogP-2.42
Rot. Bonds3

About 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride

1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride (PubChem CID 57354373) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride.

Molecular Properties

Compound Name1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride
PubChem CID57354373
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride
SMILESCN(N=CC1C=C[NH+](C)C(=O)N1C)c1ccccc1.[Cl-]
InChIInChI=1S/C14H18N4O.ClH/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12;/h4-11,13H,1-3H3;1H
InChIKeyVTNDVRYGYRYJKM-UHFFFAOYSA-N
XLogP-2.42
TPSA40.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride?
The IUPAC name of 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride (CID 57354373) is 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride.
What is the SMILES notation for 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride?
The canonical SMILES for 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride is CN(N=CC1C=C[NH+](C)C(=O)N1C)c1ccccc1.[Cl-].
What is the InChIKey of 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride?
The InChIKey is VTNDVRYGYRYJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12;/h4-11,13H,1-3H3;1H.
What are the key properties of 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride?
1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride has a molecular weight of 294.79 g/mol, XLogP of -2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]-1,4-dihydropyrimidin-1-ium-2-one chloride is sourced from PubChem (CID 57354373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).