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

C22H23ClN4O2 — CID 137077442

IUPAC2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-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(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
InChIKeyWUVXZPUPIDXLJL-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.74
Rot. Bonds5

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

2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide (PubChem CID 137077442) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide
PubChem CID137077442
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-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(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27)
InChIKeyWUVXZPUPIDXLJL-UHFFFAOYSA-N
XLogP3.74
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
CID 168297674
4-[[N'-(2-amino-2-methylpropyl)-N-cyclohexylcarbamimidoyl]amino]-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 11237444
2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 11418470
4-[[1-[(4-chlorophenyl)methyl]-4,6-dioxo-5-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 58578918
4-[(N-Cyclohexyl-3-oxo-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
CID 11179871
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylamino]propanamide
CID 4877576
2-(5-Acetyl-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidin-2-ylthio)-N-p-tolylacetamide (4f)
CID 122198609
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylamino)-N-phenylacetamide (5a)
CID 137077438
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylamino)-N-(4-chlorophenyl)acetamide (5b)
CID 137077439
2-(5-Acetyl-4-(4-bromophenyl)-6-methyl-1,4-dihydropyrimidin-2-ylamino)-N-p-tolylacetamide (5e)
CID 137077441
2-(5-Acetyl-6-methyl-4-p-tolyl-1,4-dihydropyrimidin-2-ylamino)-N-p-tolylacetamide (5h)
CID 137077443
N-(2-chlorophenyl)-4-(4-(dimethylamino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2874197

Frequently Asked Questions

What is the IUPAC name of 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide (CID 137077442) is 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-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(Cl)cc1.
What is the InChIKey of 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is WUVXZPUPIDXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13-4-10-18(11-5-13)26-19(29)12-24-22-25-14(2)20(15(3)28)21(27-22)16-6-8-17(23)9-7-16/h4-11,21H,12H2,1-3H3,(H,26,29)(H2,24,25,27).
What are the key properties of 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide?
2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-ylidene]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 137077442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).