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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Related Compounds

1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14100176
3-butyl-6-hydrazinyl-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 14100173
N-[[(3-benzyl-2,6-dioxo-1-propylpyrimidin-4-yl)amino]carbamothioyl]acetamide
CID 14986831
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 118658476
1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
CID 53375533
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295

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).