1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione

C14H18N4O2 — CID 14986830

IUPAC1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(NN)n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-8-17-13(19)9-12(16-15)18(14(17)20)10-11-6-4-3-5-7-11/h3-7,9,16H,2,8,10,15H2,1H3
InChIKeyWITMRNQFLFZWJU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.75
Rot. Bonds5

About 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione

1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione (PubChem CID 14986830) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione
PubChem CID14986830
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(NN)n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-8-17-13(19)9-12(16-15)18(14(17)20)10-11-6-4-3-5-7-11/h3-7,9,16H,2,8,10,15H2,1H3
InChIKeyWITMRNQFLFZWJU-UHFFFAOYSA-N
XLogP0.75
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione (CID 14986830) is 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione is CCCn1c(=O)cc(NN)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
The InChIKey is WITMRNQFLFZWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-8-17-13(19)9-12(16-15)18(14(17)20)10-11-6-4-3-5-7-11/h3-7,9,16H,2,8,10,15H2,1H3.
What are the key properties of 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione?
1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydrazinyl-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 14986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).