5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione

C15H18N2O2 — CID 66330934

IUPAC5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(Cn2cc(CC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)9-17-10-13(4-2)14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19)
InChIKeyACBRMXDVTSFFAP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.71
Rot. Bonds4

About 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione

5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 66330934) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID66330934
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(Cn2cc(CC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)9-17-10-13(4-2)14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19)
InChIKeyACBRMXDVTSFFAP-UHFFFAOYSA-N
XLogP1.71
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione (CID 66330934) is 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione is CCc1ccc(Cn2cc(CC)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ACBRMXDVTSFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)9-17-10-13(4-2)14(18)16-15(17)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,18,19).
What are the key properties of 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione?
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).