4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

C22H18ClN5S — CID 19136570

IUPAC4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN5S/c23-16-11-13-19(14-12-16)29-22-20(24)21(25-15-26-22)27-28(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,24H2,(H,25,26,27)
InChIKeyKPUIKQTXCBORGZ-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.03
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (PubChem CID 19136570) has the molecular formula C22H18ClN5S and a molecular weight of 419.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
PubChem CID19136570
Molecular FormulaC22H18ClN5S
Molecular Weight419.94 g/mol
Exact Mass419.10
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN5S/c23-16-11-13-19(14-12-16)29-22-20(24)21(25-15-26-22)27-28(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,24H2,(H,25,26,27)
InChIKeyKPUIKQTXCBORGZ-UHFFFAOYSA-N
XLogP6.03
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
6-(4-chlorophenyl)sulfanyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545533
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 22545323
4-(2,2-dimethylhydrazinyl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19145545
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
4-N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22547240
4-N-butyl-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19134776
4-N-(3-chloro-4-fluorophenyl)-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19149738

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (CID 19136570) is 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is KPUIKQTXCBORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5S/c23-16-11-13-19(14-12-16)29-22-20(24)21(25-15-26-22)27-28(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,24H2,(H,25,26,27).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 419.94 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 19136570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).