methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate

C19H14Cl2N2O4 — CID 2465791

IUPACmethyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4/c1-27-18(25)17(24)14-15(10-2-6-12(20)7-3-10)22-19(26)23-16(14)11-4-8-13(21)9-5-11/h2-9,15H,1H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyUIVWACWKCZLFJN-HNNXBMFYSA-N
MW405.24 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate

methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate (PubChem CID 2465791) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate
PubChem CID2465791
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Namemethyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4/c1-27-18(25)17(24)14-15(10-2-6-12(20)7-3-10)22-19(26)23-16(14)11-4-8-13(21)9-5-11/h2-9,15H,1H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyUIVWACWKCZLFJN-HNNXBMFYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbodithioate
CID 42612774
methyl (4R)-4,6-bis(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124541452
ethyl 4-[4-(4-chlorophenoxy)phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845250
methyl 6-(4-chlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 101390766
methyl (4R)-6-(4-chlorophenyl)-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124541438
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
5-(4-bromophenyl)-4,6-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 45112828
methyl 4-[4-(3,5-dimethylphenoxy)phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845016
propan-2-yl 4-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842690
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
methyl 4-(3,5-dichloro-4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844082
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate (CID 2465791) is methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate is COC(=O)C(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate?
The InChIKey is UIVWACWKCZLFJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c1-27-18(25)17(24)14-15(10-2-6-12(20)7-3-10)22-19(26)23-16(14)11-4-8-13(21)9-5-11/h2-9,15H,1H3,(H2,22,23,26)/t15-/m0/s1.
What are the key properties of methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate?
methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate has a molecular weight of 405.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-4,6-bis(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate is sourced from PubChem (CID 2465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).