2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C12H12N4O3 — CID 136910758

IUPAC2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N\Nc2nccc(=O)[nH]2)ccc1O
InChIInChI=1S/C12H12N4O3/c1-19-10-6-8(2-3-9(10)17)7-14-16-12-13-5-4-11(18)15-12/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7-
InChIKeyCDLMODSRHJCGEO-AUWJEWJLSA-N
MW260.25 g/mol
LogP0.93
Rot. Bonds4

About 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136910758) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136910758
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N\Nc2nccc(=O)[nH]2)ccc1O
InChIInChI=1S/C12H12N4O3/c1-19-10-6-8(2-3-9(10)17)7-14-16-12-13-5-4-11(18)15-12/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7-
InChIKeyCDLMODSRHJCGEO-AUWJEWJLSA-N
XLogP0.93
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

3-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136859969
2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135615207
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 136914122
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 3578416
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135715726
6-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504468
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 2841509
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412161
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 2854266
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136767846

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136910758) is 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is COc1cc(/C=N\Nc2nccc(=O)[nH]2)ccc1O.
What is the InChIKey of 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is CDLMODSRHJCGEO-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-10-6-8(2-3-9(10)17)7-14-16-12-13-5-4-11(18)15-12/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7-.
What are the key properties of 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 260.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136910758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).