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

C12H12N4O2 — CID 135475063

IUPAC2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18)
InChIKeyPRYXVASMZNISMM-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.23
Rot. Bonds3

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

2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135475063) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135475063
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18)
InChIKeyPRYXVASMZNISMM-UHFFFAOYSA-N
XLogP1.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135475063) is 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=Cc2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PRYXVASMZNISMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18).
What are the key properties of 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 244.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135475063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).