6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

C18H16N4O2 — CID 1391139

IUPAC6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(NN=Cc2ccccc2OCc2ccccc2)[nH]1
InChIInChI=1S/C18H16N4O2/c23-18-19-11-10-17(21-18)22-20-12-15-8-4-5-9-16(15)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,19,21,22,23)
InChIKeyMNNOYGBUGLKIIV-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.79
Rot. Bonds6

About 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (PubChem CID 1391139) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
PubChem CID1391139
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESO=c1nccc(NN=Cc2ccccc2OCc2ccccc2)[nH]1
InChIInChI=1S/C18H16N4O2/c23-18-19-11-10-17(21-18)22-20-12-15-8-4-5-9-16(15)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,19,21,22,23)
InChIKeyMNNOYGBUGLKIIV-UHFFFAOYSA-N
XLogP2.79
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
5-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337104
5-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966470
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110839709
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-6-amine
CID 19661995
1-methyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7575217

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (CID 1391139) is 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is O=c1nccc(NN=Cc2ccccc2OCc2ccccc2)[nH]1.
What is the InChIKey of 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is MNNOYGBUGLKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18-19-11-10-17(21-18)22-20-12-15-8-4-5-9-16(15)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,19,21,22,23).
What are the key properties of 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 1391139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).