6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

C14H16N4O4 — CID 135517027

IUPAC6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(/C=N\Nc2cc(=O)n(C)c(=O)n2C)ccc1O
InChIInChI=1S/C14H16N4O4/c1-17-12(7-13(20)18(2)14(17)21)16-15-8-9-4-5-10(19)11(6-9)22-3/h4-8,16,19H,1-3H3/b15-8-
InChIKeyHGWUMYPJGYEPAV-NVNXTCNLSA-N
MW304.31 g/mol
LogP0.24
Rot. Bonds4

About 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135517027) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135517027
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cc(/C=N\Nc2cc(=O)n(C)c(=O)n2C)ccc1O
InChIInChI=1S/C14H16N4O4/c1-17-12(7-13(20)18(2)14(17)21)16-15-8-9-4-5-10(19)11(6-9)22-3/h4-8,16,19H,1-3H3/b15-8-
InChIKeyHGWUMYPJGYEPAV-NVNXTCNLSA-N
XLogP0.24
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (CID 135517027) is 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cc(/C=N\Nc2cc(=O)n(C)c(=O)n2C)ccc1O.
What is the InChIKey of 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HGWUMYPJGYEPAV-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-17-12(7-13(20)18(2)14(17)21)16-15-8-9-4-5-10(19)11(6-9)22-3/h4-8,16,19H,1-3H3/b15-8-.
What are the key properties of 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 304.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135517027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).