4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile

C24H25N5O2S — CID 156597581

IUPAC4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(/C=N\Nc2nc(SCC(C)C)nc(-c3ccc(OC)cc3)c2C#N)cc1
InChIInChI=1S/C24H25N5O2S/c1-16(2)15-32-24-27-22(18-7-11-20(31-4)12-8-18)21(13-25)23(28-24)29-26-14-17-5-9-19(30-3)10-6-17/h5-12,14,16H,15H2,1-4H3,(H,27,28,29)/b26-14-
InChIKeyFIYSSQSHFHBMNN-WGARJPEWSA-N
MW447.56 g/mol
LogP5.23
Rot. Bonds9

About 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile

4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 156597581) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID156597581
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(/C=N\Nc2nc(SCC(C)C)nc(-c3ccc(OC)cc3)c2C#N)cc1
InChIInChI=1S/C24H25N5O2S/c1-16(2)15-32-24-27-22(18-7-11-20(31-4)12-8-18)21(13-25)23(28-24)29-26-14-17-5-9-19(30-3)10-6-17/h5-12,14,16H,15H2,1-4H3,(H,27,28,29)/b26-14-
InChIKeyFIYSSQSHFHBMNN-WGARJPEWSA-N
XLogP5.23
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
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 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile (CID 156597581) is 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile is COc1ccc(/C=N\Nc2nc(SCC(C)C)nc(-c3ccc(OC)cc3)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is FIYSSQSHFHBMNN-WGARJPEWSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-16(2)15-32-24-27-22(18-7-11-20(31-4)12-8-18)21(13-25)23(28-24)29-26-14-17-5-9-19(30-3)10-6-17/h5-12,14,16H,15H2,1-4H3,(H,27,28,29)/b26-14-.
What are the key properties of 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile?
4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 447.56 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 156597581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).