(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

C25H22N2O3 — CID 7811036

IUPAC(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1
InChIInChI=1S/C25H22N2O3/c1-17-22(24(28)19-11-6-3-7-12-19)23(27-25(29)26-17)20-13-8-14-21(15-20)30-16-18-9-4-2-5-10-18/h2-15,23H,16H2,1H3,(H2,26,27,29)/t23-/m1/s1
InChIKeyIOFKUAUPYGMVFK-HSZRJFAPSA-N
MW398.46 g/mol
LogP4.78
Rot. Bonds6

About (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7811036) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7811036
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1
InChIInChI=1S/C25H22N2O3/c1-17-22(24(28)19-11-6-3-7-12-19)23(27-25(29)26-17)20-13-8-14-21(15-20)30-16-18-9-4-2-5-10-18/h2-15,23H,16H2,1H3,(H2,26,27,29)/t23-/m1/s1
InChIKeyIOFKUAUPYGMVFK-HSZRJFAPSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4565972
2-phenylethyl (4S)-6-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1110660
(4R)-5-benzoyl-4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 41114767
2-propan-2-yloxyethyl 6-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855428
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
methyl 4-[[4-(5-benzoyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-methoxyphenoxy]methyl]benzoate
CID 3419495
(4R)-7,7-dimethyl-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7860441
2-phenylethyl (4S)-4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1268701
2-phenylethyl 4-(3-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855740
5-benzoyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 2881346
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856

Frequently Asked Questions

What is the IUPAC name of (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 7811036) is (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1.
What is the InChIKey of (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is IOFKUAUPYGMVFK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17-22(24(28)19-11-6-3-7-12-19)23(27-25(29)26-17)20-13-8-14-21(15-20)30-16-18-9-4-2-5-10-18/h2-15,23H,16H2,1H3,(H2,26,27,29)/t23-/m1/s1.
What are the key properties of (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 398.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7811036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).