methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate

C19H18N2O2S2 — CID 42612770

IUPACmethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
SMILESCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(=S)SC)cc1
InChIInChI=1S/C19H18N2O2S2/c1-23-14-10-8-13(9-11-14)17-15(18(24)25-2)16(20-19(22)21-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H2,20,21,22)
InChIKeySYVMZWAQZMBHQF-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.15
Rot. Bonds4

About methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate

methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate (PubChem CID 42612770) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
PubChem CID42612770
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Namemethyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate
SMILESCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(=S)SC)cc1
InChIInChI=1S/C19H18N2O2S2/c1-23-14-10-8-13(9-11-14)17-15(18(24)25-2)16(20-19(22)21-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H2,20,21,22)
InChIKeySYVMZWAQZMBHQF-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate 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
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843831
4-(4-methoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carbothioamide
CID 82018033
ethyl 4,6-bis(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864538
methyl 4-[4-[benzyl(ethyl)amino]phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845549
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 6990662
propan-2-yl 6-(4-methoxyphenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844413
methyl 2-oxo-6-phenyl-4-[4-(3-phenylpropoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845591
propan-2-yl 4-(3-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842654
propan-2-yl 4-[4-(dimethylamino)phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842690
methyl 4-[4-(3,5-dimethylphenoxy)phenyl]-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845016

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate?
The IUPAC name of methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate (CID 42612770) is methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate is COc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(=S)SC)cc1.
What is the InChIKey of methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate?
The InChIKey is SYVMZWAQZMBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-23-14-10-8-13(9-11-14)17-15(18(24)25-2)16(20-19(22)21-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H2,20,21,22).
What are the key properties of methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate?
methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate has a molecular weight of 370.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carbodithioate is sourced from PubChem (CID 42612770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).