5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione

C15H18N2O3 — CID 3069867

IUPAC5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C
InChIInChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(19)17-13(15)20-10(2)3/h5-10H,4H2,1-3H3,(H,16,18,19)
InChIKeyCCEXTQVHYYYTOI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds3

About 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione

5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione (PubChem CID 3069867) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
PubChem CID3069867
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C
InChIInChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(19)17-13(15)20-10(2)3/h5-10H,4H2,1-3H3,(H,16,18,19)
InChIKeyCCEXTQVHYYYTOI-UHFFFAOYSA-N
XLogP2.41
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione (CID 3069867) is 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione is CCC1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C.
What is the InChIKey of 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione?
The InChIKey is CCEXTQVHYYYTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(19)17-13(15)20-10(2)3/h5-10H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione?
5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione is sourced from PubChem (CID 3069867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).