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

C15H18N2O2 — CID 8009195

IUPAC(6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@H](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)/t14-/m1/s1
InChIKeyIKRJEKKSBMJDRD-CQSZACIVSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds3

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

(6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (PubChem CID 8009195) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
PubChem CID8009195
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@H](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)/t14-/m1/s1
InChIKeyIKRJEKKSBMJDRD-CQSZACIVSA-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 (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one (CID 8009195) is (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is CCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C.
What is the InChIKey of (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is IKRJEKKSBMJDRD-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one?
(6R)-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 (6R)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 8009195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).