6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione

C23H34N2O2 — CID 142656479

IUPAC6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
SMILESCCCCCn1c(Cc2ccccc2)c(CC)c(=O)n(CCCCC)c1=O
InChIInChI=1S/C23H34N2O2/c1-4-7-12-16-24-21(18-19-14-10-9-11-15-19)20(6-3)22(26)25(23(24)27)17-13-8-5-2/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3
InChIKeyHASZNTIHULMKHY-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.54
Rot. Bonds11

About 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione

6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione (PubChem CID 142656479) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
PubChem CID142656479
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
SMILESCCCCCn1c(Cc2ccccc2)c(CC)c(=O)n(CCCCC)c1=O
InChIInChI=1S/C23H34N2O2/c1-4-7-12-16-24-21(18-19-14-10-9-11-15-19)20(6-3)22(26)25(23(24)27)17-13-8-5-2/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3
InChIKeyHASZNTIHULMKHY-UHFFFAOYSA-N
XLogP4.54
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
CID 101407013
6-benzyl-3-hexyl-1-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656467
1,6-dibenzyl-5-ethyl-3-hydroxypyrimidine-2,4-dione
CID 52936423
6-benzyl-1-(ethoxymethyl)-5-ethyl-3-phenacylpyrimidine-2,4-dione
CID 10363973
2-benzyl-6-bromo-4-heptyl-1,2,4-triazine-3,5-dione
CID 68582474
2-benzyl-3-butylquinazolin-4-one
CID 12563436
2-ethyl-3-pentylquinazolin-4-one
CID 529110
5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one
CID 53388584
2-benzyl-1-hexadecylbenzimidazole
CID 4627397

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione (CID 142656479) is 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione is CCCCCn1c(Cc2ccccc2)c(CC)c(=O)n(CCCCC)c1=O.
What is the InChIKey of 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione?
The InChIKey is HASZNTIHULMKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-7-12-16-24-21(18-19-14-10-9-11-15-19)20(6-3)22(26)25(23(24)27)17-13-8-5-2/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3.
What are the key properties of 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione?
6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione has a molecular weight of 370.54 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione is sourced from PubChem (CID 142656479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).