6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C10H8Cl2N4O2 — CID 90678614

IUPAC6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4O2/c11-6-2-1-5(3-7(6)12)15-16-8-4-9(17)14-10(18)13-8/h1-4,15H,(H3,13,14,16,17,18)
InChIKeyMBEDZJDDZHCURA-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.81
Rot. Bonds3

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

6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678614) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678614
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N4O2/c11-6-2-1-5(3-7(6)12)15-16-8-4-9(17)14-10(18)13-8/h1-4,15H,(H3,13,14,16,17,18)
InChIKeyMBEDZJDDZHCURA-UHFFFAOYSA-N
XLogP1.81
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.81
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-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678614) is 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is O=c1cc(NNc2ccc(Cl)c(Cl)c2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MBEDZJDDZHCURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-6-2-1-5(3-7(6)12)15-16-8-4-9(17)14-10(18)13-8/h1-4,15H,(H3,13,14,16,17,18).
What are the key properties of 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 287.11 g/mol, XLogP of 1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).