2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C13H14N4O2 — CID 135454028

IUPAC2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1C=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H14N4O2/c1-9-7-12(18)16-13(15-9)17-14-8-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyIMVWTINQRZDOGZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.53
Rot. Bonds4

About 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135454028) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135454028
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1C=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H14N4O2/c1-9-7-12(18)16-13(15-9)17-14-8-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyIMVWTINQRZDOGZ-UHFFFAOYSA-N
XLogP1.53
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135454028) is 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is COc1ccccc1C=NNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IMVWTINQRZDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-7-12(18)16-13(15-9)17-14-8-10-5-3-4-6-11(10)19-2/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 258.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).