2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide

C23H26N4O2 — CID 137077443

IUPAC2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)C1=C(C)N/C(=N\CC(=O)Nc2ccc(C)cc2)NC1c1ccc(C)cc1
InChIInChI=1S/C23H26N4O2/c1-14-5-9-18(10-6-14)22-21(17(4)28)16(3)25-23(27-22)24-13-20(29)26-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,26,29)(H2,24,25,27)
InChIKeyZIVPMBURTKOXPQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.40
Rot. Bonds5

About 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide

2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide (PubChem CID 137077443) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide
PubChem CID137077443
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)C1=C(C)N/C(=N\CC(=O)Nc2ccc(C)cc2)NC1c1ccc(C)cc1
InChIInChI=1S/C23H26N4O2/c1-14-5-9-18(10-6-14)22-21(17(4)28)16(3)25-23(27-22)24-13-20(29)26-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,26,29)(H2,24,25,27)
InChIKeyZIVPMBURTKOXPQ-UHFFFAOYSA-N
XLogP3.40
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide (CID 137077443) is 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide is CC(=O)C1=C(C)N/C(=N\CC(=O)Nc2ccc(C)cc2)NC1c1ccc(C)cc1.
What is the InChIKey of 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZIVPMBURTKOXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-5-9-18(10-6-14)22-21(17(4)28)16(3)25-23(27-22)24-13-20(29)26-19-11-7-15(2)8-12-19/h5-12,22H,13H2,1-4H3,(H,26,29)(H2,24,25,27).
What are the key properties of 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-acetyl-6-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 137077443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).