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

C23H24N2O3 — CID 42534337

IUPAC(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C23H24N2O3/c1-4-25-15-20(21(26)14-9-17-7-5-16(2)6-8-17)22(24-23(25)27)18-10-12-19(28-3)13-11-18/h5-15,22H,4H2,1-3H3,(H,24,27)/b14-9+/t22-/m1/s1
InChIKeyGZZWLUZXBFEVRK-UBLKFNIESA-N
MW376.46 g/mol
LogP4.26
Rot. Bonds6

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

(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one (PubChem CID 42534337) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one
PubChem CID42534337
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one
SMILESCCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C23H24N2O3/c1-4-25-15-20(21(26)14-9-17-7-5-16(2)6-8-17)22(24-23(25)27)18-10-12-19(28-3)13-11-18/h5-15,22H,4H2,1-3H3,(H,24,27)/b14-9+/t22-/m1/s1
InChIKeyGZZWLUZXBFEVRK-UBLKFNIESA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.26
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-chlorophenyl)prop-2-enoyl]-3-ethyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42569840
6-(4-chlorophenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1,6-dihydropyrimidin-2-one
CID 42650083
(6S)-5-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 42506597
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
ethyl 3-methyl-2-oxo-6-[4-(3-phenylprop-2-enoyloxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 164827705
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
S-(4-methylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 797266
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177

Frequently Asked Questions

What is the IUPAC name of (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one (CID 42534337) is (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one is CCN1C=C(C(=O)/C=C/c2ccc(C)cc2)[C@@H](c2ccc(OC)cc2)NC1=O.
What is the InChIKey of (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one?
The InChIKey is GZZWLUZXBFEVRK-UBLKFNIESA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-25-15-20(21(26)14-9-17-7-5-16(2)6-8-17)22(24-23(25)27)18-10-12-19(28-3)13-11-18/h5-15,22H,4H2,1-3H3,(H,24,27)/b14-9+/t22-/m1/s1.
What are the key properties of (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one?
(6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-ethyl-6-(4-methoxyphenyl)-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 42534337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).