5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C19H20N4O — CID 135420183

IUPAC5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(/C(C)=N\Nc2ccccc2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C19H20N4O/c1-13-17(14(2)22-23-16-11-7-4-8-12-16)18(21-19(24)20-13)15-9-5-3-6-10-15/h3-12,18,23H,1-2H3,(H2,20,21,24)/b22-14-
InChIKeySTOVKOUBLDXNCF-HMAPJEAMSA-N
MW320.40 g/mol
LogP3.80
Rot. Bonds4

About 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 135420183) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID135420183
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(/C(C)=N\Nc2ccccc2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C19H20N4O/c1-13-17(14(2)22-23-16-11-7-4-8-12-16)18(21-19(24)20-13)15-9-5-3-6-10-15/h3-12,18,23H,1-2H3,(H2,20,21,24)/b22-14-
InChIKeySTOVKOUBLDXNCF-HMAPJEAMSA-N
XLogP3.80
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
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'}

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Related Compounds

6-methyl-5-[(Z)-C-methyl-N-[[6-(3-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]carbonimidoyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 171978755
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 58398991
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carbothioamide
CID 82018049
(4S)-4-(4-tert-butylphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7798160
6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3562251
(4S)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7714723
4-(4-methoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carbothioamide
CID 82018033
methyl (4S)-6-methyl-2-oxo-4-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 698630

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 135420183) is 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(/C(C)=N\Nc2ccccc2)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is STOVKOUBLDXNCF-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-17(14(2)22-23-16-11-7-4-8-12-16)18(21-19(24)20-13)15-9-5-3-6-10-15/h3-12,18,23H,1-2H3,(H2,20,21,24)/b22-14-.
What are the key properties of 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-anilino-C-methylcarbonimidoyl]-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 135420183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).