6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione

C18H24N2O2 — CID 142656446

IUPAC6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-9-12-20-16(13-14-10-7-6-8-11-14)15(4-2)17(21)19-18(20)22/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,19,21,22)
InChIKeyLQPIWEPFJYGFRZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.88
Rot. Bonds7

About 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione

6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione (PubChem CID 142656446) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
PubChem CID142656446
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-9-12-20-16(13-14-10-7-6-8-11-14)15(4-2)17(21)19-18(20)22/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,19,21,22)
InChIKeyLQPIWEPFJYGFRZ-UHFFFAOYSA-N
XLogP2.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
CID 142656479
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
6-benzyl-1-(cyclopropylmethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 44597568
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-hexyl-6-(naphthalen-2-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656474
6-benzyl-1-[4-(4-fluorophenyl)butyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 52937849
6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[(E)-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 6480197
3-benzyl-4-butyl-1H-1,2,4-triazol-5-one
CID 2824779
4-dodecylbenzo[f]quinazoline-1,3-dione
CID 59194270
5-ethyl-1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
CID 509573

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione (CID 142656446) is 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione is CCCCCn1c(Cc2ccccc2)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione?
The InChIKey is LQPIWEPFJYGFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-9-12-20-16(13-14-10-7-6-8-11-14)15(4-2)17(21)19-18(20)22/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,19,21,22).
What are the key properties of 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione?
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione is sourced from PubChem (CID 142656446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).