4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

C23H21N5S — CID 19146603

IUPAC4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1
InChIInChI=1S/C23H21N5S/c1-17-12-14-20(15-13-17)29-23-21(24)22(25-16-26-23)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,24H2,1H3,(H,25,26,27)
InChIKeyXBQXNLRCAGHFLT-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.68
Rot. Bonds6

About 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 19146603) has the molecular formula C23H21N5S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
PubChem CID19146603
Molecular FormulaC23H21N5S
Molecular Weight399.52 g/mol
Exact Mass399.15
IUPAC Name4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1
InChIInChI=1S/C23H21N5S/c1-17-12-14-20(15-13-17)29-23-21(24)22(25-16-26-23)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,24H2,1H3,(H,25,26,27)
InChIKeyXBQXNLRCAGHFLT-UHFFFAOYSA-N
XLogP5.68
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.68
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-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19136570
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
4-(2,2-dimethylhydrazinyl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19145545
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22546221

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (CID 19146603) is 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is Cc1ccc(Sc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1.
What is the InChIKey of 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is XBQXNLRCAGHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5S/c1-17-12-14-20(15-13-17)29-23-21(24)22(25-16-26-23)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,24H2,1H3,(H,25,26,27).
What are the key properties of 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 399.52 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 19146603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).