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

C11H12N4O2 — CID 90678611

IUPAC6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(NNc2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H12N4O2/c1-7-3-2-4-8(5-7)14-15-9-6-10(16)13-11(17)12-9/h2-6,14H,1H3,(H3,12,13,15,16,17)
InChIKeyFBXBDHDNEYBGHX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.81
Rot. Bonds3

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

6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678611) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678611
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(NNc2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H12N4O2/c1-7-3-2-4-8(5-7)14-15-9-6-10(16)13-11(17)12-9/h2-6,14H,1H3,(H3,12,13,15,16,17)
InChIKeyFBXBDHDNEYBGHX-UHFFFAOYSA-N
XLogP0.81
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.81
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-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678611) is 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is Cc1cccc(NNc2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FBXBDHDNEYBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-2-4-8(5-7)14-15-9-6-10(16)13-11(17)12-9/h2-6,14H,1H3,(H3,12,13,15,16,17).
What are the key properties of 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).