6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C12H14N4O3 — CID 90678617

IUPAC6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(NNc2cc(=O)[nH]c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C12H14N4O3/c1-6-3-8(4-7(2)11(6)18)15-16-9-5-10(17)14-12(19)13-9/h3-5,15,18H,1-2H3,(H3,13,14,16,17,19)
InChIKeyCVCRUKZOSZJADA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.82
Rot. Bonds3

About 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678617) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678617
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(NNc2cc(=O)[nH]c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C12H14N4O3/c1-6-3-8(4-7(2)11(6)18)15-16-9-5-10(17)14-12(19)13-9/h3-5,15,18H,1-2H3,(H3,13,14,16,17,19)
InChIKeyCVCRUKZOSZJADA-UHFFFAOYSA-N
XLogP0.82
TPSA110.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678617) is 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is Cc1cc(NNc2cc(=O)[nH]c(=O)[nH]2)cc(C)c1O.
What is the InChIKey of 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CVCRUKZOSZJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6-3-8(4-7(2)11(6)18)15-16-9-5-10(17)14-12(19)13-9/h3-5,15,18H,1-2H3,(H3,13,14,16,17,19).
What are the key properties of 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 262.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-hydroxy-3,5-dimethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).