(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one

C23H24N2O3 — CID 42569166

IUPAC(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-25-16-20(22(24-23(25)27)18-8-6-5-7-9-18)21(26)15-12-17-10-13-19(14-11-17)28-4-2/h5-16,22H,3-4H2,1-2H3,(H,24,27)/b15-12+/t22-/m1/s1
InChIKeyNQDMXKOFTSLCEK-OWSFEGEDSA-N
MW376.46 g/mol
LogP4.34
Rot. Bonds7

About (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one

(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one (PubChem CID 42569166) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one
PubChem CID42569166
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one
SMILESCCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3/c1-3-25-16-20(22(24-23(25)27)18-8-6-5-7-9-18)21(26)15-12-17-10-13-19(14-11-17)28-4-2/h5-16,22H,3-4H2,1-2H3,(H,24,27)/b15-12+/t22-/m1/s1
InChIKeyNQDMXKOFTSLCEK-OWSFEGEDSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6S)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42506597
3-ethyl-5-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42649763
(6S)-5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42569840
(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one
CID 42534337
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
1-(4-ethoxyphenyl)-4-hydroxy-2-phenyl-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4972723
6-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1,6-dihydropyrimidin-2-one
CID 42650083
ethyl 3-methyl-2-oxo-6-[4-(3-phenylprop-2-enoyloxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 164827705
(E)-3-(4-ethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566915
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one (CID 42569166) is (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one is CCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one?
The InChIKey is NQDMXKOFTSLCEK-OWSFEGEDSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-25-16-20(22(24-23(25)27)18-8-6-5-7-9-18)21(26)15-12-17-10-13-19(14-11-17)28-4-2/h5-16,22H,3-4H2,1-2H3,(H,24,27)/b15-12+/t22-/m1/s1.
What are the key properties of (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one?
(6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 42569166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).