5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one

C15H18N2O2 — CID 11737016

IUPAC5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19)
InChIKeyIKRJEKKSBMJDRD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds3

About 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one

5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (PubChem CID 11737016) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
PubChem CID11737016
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19)
InChIKeyIKRJEKKSBMJDRD-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (CID 11737016) is 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is CCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C.
What is the InChIKey of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is IKRJEKKSBMJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-10(2)13(11(3)18)14(16-15(17)19)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H,16,19).
What are the key properties of 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 11737016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).