4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one

C17H14F2N4O — CID 123251541

IUPAC4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one
SMILES[H]/N=C/C1C(=O)NC(c2ccc(F)cc2F)N=C1Nc1ccccc1
InChIInChI=1S/C17H14F2N4O/c18-10-6-7-12(14(19)8-10)15-22-16(13(9-20)17(24)23-15)21-11-4-2-1-3-5-11/h1-9,13,15,20H,(H,21,22)(H,23,24)/b20-9+
InChIKeyPGCHYSGOSLMWBJ-AWQFTUOYSA-N
MW328.32 g/mol
LogP2.87
Rot. Bonds3

About 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one

4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one (PubChem CID 123251541) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one
PubChem CID123251541
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one
SMILES[H]/N=C/C1C(=O)NC(c2ccc(F)cc2F)N=C1Nc1ccccc1
InChIInChI=1S/C17H14F2N4O/c18-10-6-7-12(14(19)8-10)15-22-16(13(9-20)17(24)23-15)21-11-4-2-1-3-5-11/h1-9,13,15,20H,(H,21,22)(H,23,24)/b20-9+
InChIKeyPGCHYSGOSLMWBJ-AWQFTUOYSA-N
XLogP2.87
TPSA77.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one (CID 123251541) is 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one is [H]/N=C/C1C(=O)NC(c2ccc(F)cc2F)N=C1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is PGCHYSGOSLMWBJ-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-10-6-7-12(14(19)8-10)15-22-16(13(9-20)17(24)23-15)21-11-4-2-1-3-5-11/h1-9,13,15,20H,(H,21,22)(H,23,24)/b20-9+.
What are the key properties of 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one?
4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 328.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(2,4-difluorophenyl)-5-methanimidoyl-2,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 123251541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).