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

C20H19ClN2O4 — CID 7859917

IUPAC(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C20H19ClN2O4/c1-11-17(19(24)12-4-6-13(21)7-5-12)18(23-20(25)22-11)15-9-8-14(26-2)10-16(15)27-3/h4-10,18H,1-3H3,(H2,22,23,25)/t18-/m1/s1
InChIKeyNMGNWIHFQFVPFZ-GOSISDBHSA-N
MW386.84 g/mol
LogP3.87
Rot. Bonds5

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

(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 7859917) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID7859917
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C20H19ClN2O4/c1-11-17(19(24)12-4-6-13(21)7-5-12)18(23-20(25)22-11)15-9-8-14(26-2)10-16(15)27-3/h4-10,18H,1-3H3,(H2,22,23,25)/t18-/m1/s1
InChIKeyNMGNWIHFQFVPFZ-GOSISDBHSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Related Compounds

(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7858259
butyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7451999
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2909603
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1158692
(4S)-4-(2,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7157518
2-phenylethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3100141
4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3476783
2-phenylethyl (4S)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1092138
5-(4-chlorobenzoyl)-4-[4-(difluoromethoxy)phenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 3928414

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 7859917) is (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is NMGNWIHFQFVPFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-11-17(19(24)12-4-6-13(21)7-5-12)18(23-20(25)22-11)15-9-8-14(26-2)10-16(15)27-3/h4-10,18H,1-3H3,(H2,22,23,25)/t18-/m1/s1.
What are the key properties of (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 386.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 7859917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).