2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one

C19H15ClN4O2 — CID 135958404

IUPAC2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/C(=N/Nc2ccccc2)C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4O2/c1-12-11-16(25)22-19(21-12)17(24-23-15-5-3-2-4-6-15)18(26)13-7-9-14(20)10-8-13/h2-11,23H,1H3,(H,21,22,25)/b24-17+
InChIKeyMSEYRTSVAVGFSJ-JJIBRWJFSA-N
MW366.81 g/mol
LogP3.43
Rot. Bonds5

About 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one

2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135958404) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135958404
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/C(=N/Nc2ccccc2)C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4O2/c1-12-11-16(25)22-19(21-12)17(24-23-15-5-3-2-4-6-15)18(26)13-7-9-14(20)10-8-13/h2-11,23H,1H3,(H,21,22,25)/b24-17+
InChIKeyMSEYRTSVAVGFSJ-JJIBRWJFSA-N
XLogP3.43
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-C-(4-chlorobenzoyl)-N-(4-methylanilino)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
CID 135958405
2-[(E)-N-(4-acetylanilino)-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
CID 135958505
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850
4-[2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)diazenyl]-phenylmethylidene]hydrazinyl]benzoate
CID 135554596
methyl N-[[(2E)-2-(4-chlorophenyl)-2-(phenylhydrazinylidene)acetyl]amino]carbamate
CID 100965290
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078
(1E)-2-(4-chlorophenyl)-N-(3-methylanilino)-2-oxoethanimidoyl cyanide
CID 5410446
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
1-(3-chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea
CID 135426663
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818268

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one (CID 135958404) is 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(/C(=N/Nc2ccccc2)C(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MSEYRTSVAVGFSJ-JJIBRWJFSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-11-16(25)22-19(21-12)17(24-23-15-5-3-2-4-6-15)18(26)13-7-9-14(20)10-8-13/h2-11,23H,1H3,(H,21,22,25)/b24-17+.
What are the key properties of 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one?
2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 366.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-anilino-C-(4-chlorobenzoyl)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135958404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).