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

C13H14N4O3 — CID 46498878

IUPAC6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2cccc(O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3/b14-8-
InChIKeyKXXPLBHJQZPSHZ-ZSOIEALJSA-N
MW274.28 g/mol
LogP0.24
Rot. Bonds3

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

6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46498878) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46498878
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2cccc(O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3/b14-8-
InChIKeyKXXPLBHJQZPSHZ-ZSOIEALJSA-N
XLogP0.24
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (CID 46498878) is 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N/N=C\c2cccc(O)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KXXPLBHJQZPSHZ-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3/b14-8-.
What are the key properties of 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46498878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).