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

C14H18N4O2 — CID 90678605

IUPAC6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCCCCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-3-4-10-5-7-11(8-6-10)17-18-12-9-13(19)16-14(20)15-12/h5-9,17H,2-4H2,1H3,(H3,15,16,18,19,20)
InChIKeyJIARUHYKYPHONR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.84
Rot. Bonds6

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

6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678605) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678605
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESCCCCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-3-4-10-5-7-11(8-6-10)17-18-12-9-13(19)16-14(20)15-12/h5-9,17H,2-4H2,1H3,(H3,15,16,18,19,20)
InChIKeyJIARUHYKYPHONR-UHFFFAOYSA-N
XLogP1.84
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.84
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-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678605) is 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is CCCCc1ccc(NNc2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JIARUHYKYPHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-3-4-10-5-7-11(8-6-10)17-18-12-9-13(19)16-14(20)15-12/h5-9,17H,2-4H2,1H3,(H3,15,16,18,19,20).
What are the key properties of 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-butylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).