2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one

C13H14N4O3 — CID 135615207

IUPAC2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N/Nc2ncc(C)c(=O)[nH]2)ccc1O
InChIInChI=1S/C13H14N4O3/c1-8-6-14-13(16-12(8)19)17-15-7-9-3-4-10(18)11(5-9)20-2/h3-7,18H,1-2H3,(H2,14,16,17,19)/b15-7+
InChIKeyCNOKFOUTLJMPPN-VIZOYTHASA-N
MW274.28 g/mol
LogP1.24
Rot. Bonds4

About 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135615207) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135615207
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N/Nc2ncc(C)c(=O)[nH]2)ccc1O
InChIInChI=1S/C13H14N4O3/c1-8-6-14-13(16-12(8)19)17-15-7-9-3-4-10(18)11(5-9)20-2/h3-7,18H,1-2H3,(H2,14,16,17,19)/b15-7+
InChIKeyCNOKFOUTLJMPPN-VIZOYTHASA-N
XLogP1.24
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.24
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

2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136910758
3-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136859969
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135715726
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 136914122
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
6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 3578416
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135454395
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657
3-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135721365
3-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789274
5-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2788039

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one (CID 135615207) is 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one is COc1cc(/C=N/Nc2ncc(C)c(=O)[nH]2)ccc1O.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is CNOKFOUTLJMPPN-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-6-14-13(16-12(8)19)17-15-7-9-3-4-10(18)11(5-9)20-2/h3-7,18H,1-2H3,(H2,14,16,17,19)/b15-7+.
What are the key properties of 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 274.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135615207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).