methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H26N4O6S — CID 3686774

IUPACmethyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C24H26N4O6S/c1-14-21(23(30)33-3)22(27-24(31)26-14)16-7-10-18(19(11-16)32-2)34-13-20(29)28-25-12-15-5-8-17(35-4)9-6-15/h5-12,22H,13H2,1-4H3,(H,28,29)(H2,26,27,31)
InChIKeyGBCQKAMLUZGLMW-UHFFFAOYSA-N
MW498.56 g/mol
LogP2.75
Rot. Bonds9

About methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3686774) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3686774
Molecular FormulaC24H26N4O6S
Molecular Weight498.56 g/mol
Exact Mass498.16
IUPAC Namemethyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C24H26N4O6S/c1-14-21(23(30)33-3)22(27-24(31)26-14)16-7-10-18(19(11-16)32-2)34-13-20(29)28-25-12-15-5-8-17(35-4)9-6-15/h5-12,22H,13H2,1-4H3,(H,28,29)(H2,26,27,31)
InChIKeyGBCQKAMLUZGLMW-UHFFFAOYSA-N
XLogP2.75
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate 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-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4140338
ethyl 4-[4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 45105921
ethyl 4-[4-[2-[(2E)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21211743
ethyl 4-[3-methoxy-4-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21211737
methyl (4R)-4-[4-[2-[2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 129439365
methyl (4S)-4-[4-[2-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137037197
ethyl (4S)-4-[4-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137037231
ethyl (4S)-4-[4-[2-[(2Z)-2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137079737
ethyl (4R)-4-[4-[2-[(2Z)-2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137139178
methyl 4-[3-methoxy-4-[2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 23099683
ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137079735
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4102498

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3686774) is methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(SC)cc2)c(OC)c1.
What is the InChIKey of methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is GBCQKAMLUZGLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-14-21(23(30)33-3)22(27-24(31)26-14)16-7-10-18(19(11-16)32-2)34-13-20(29)28-25-12-15-5-8-17(35-4)9-6-15/h5-12,22H,13H2,1-4H3,(H,28,29)(H2,26,27,31).
What are the key properties of methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 498.56 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-methoxy-4-[2-[2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3686774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).