6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C12H14N4O2 — CID 90678604

IUPAC6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-2-8-3-5-9(6-4-8)15-16-10-7-11(17)14-12(18)13-10/h3-7,15H,2H2,1H3,(H3,13,14,16,17,18)
InChIKeyJESDVWAMEOEYLS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.06
Rot. Bonds4

About 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678604) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678604
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-2-8-3-5-9(6-4-8)15-16-10-7-11(17)14-12(18)13-10/h3-7,15H,2H2,1H3,(H3,13,14,16,17,18)
InChIKeyJESDVWAMEOEYLS-UHFFFAOYSA-N
XLogP1.06
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678604) is 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is CCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JESDVWAMEOEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-8-3-5-9(6-4-8)15-16-10-7-11(17)14-12(18)13-10/h3-7,15H,2H2,1H3,(H3,13,14,16,17,18).
What are the key properties of 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).