4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one

C15H19N3O2 — CID 142979583

IUPAC4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCONc1ccccc1/C=C/C1NC(=O)NC(C)=C1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)16-15(19)17-13(10)9-8-12-6-4-5-7-14(12)18-20-3/h4-9,13,18H,1-3H3,(H2,16,17,19)/b9-8+
InChIKeyFFPFMIWYHUTADU-CMDGGOBGSA-N
MW273.34 g/mol
LogP2.65
Rot. Bonds4

About 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one

4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 142979583) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID142979583
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCONc1ccccc1/C=C/C1NC(=O)NC(C)=C1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)16-15(19)17-13(10)9-8-12-6-4-5-7-14(12)18-20-3/h4-9,13,18H,1-3H3,(H2,16,17,19)/b9-8+
InChIKeyFFPFMIWYHUTADU-CMDGGOBGSA-N
XLogP2.65
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (CID 142979583) is 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is CONc1ccccc1/C=C/C1NC(=O)NC(C)=C1C.
What is the InChIKey of 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FFPFMIWYHUTADU-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-11(2)16-15(19)17-13(10)9-8-12-6-4-5-7-14(12)18-20-3/h4-9,13,18H,1-3H3,(H2,16,17,19)/b9-8+.
What are the key properties of 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(methoxyamino)phenyl]ethenyl]-5,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 142979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).