4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine

C24H24N6 — CID 22546221

IUPAC4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1C
InChIInChI=1S/C24H24N6/c1-17-13-14-19(15-18(17)2)28-23-22(25)24(27-16-26-23)29-30(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,25H2,1-2H3,(H2,26,27,28,29)
InChIKeyKNVIDNPANBCNCT-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.58
Rot. Bonds6

About 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine

4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 22546221) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID22546221
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1C
InChIInChI=1S/C24H24N6/c1-17-13-14-19(15-18(17)2)28-23-22(25)24(27-16-26-23)29-30(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,25H2,1-2H3,(H2,26,27,28,29)
InChIKeyKNVIDNPANBCNCT-UHFFFAOYSA-N
XLogP5.58
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.58
H-Bond Donors ≤ 53
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-N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine
CID 22547240
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-(2,2-dimethylhydrazinyl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19145545
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
ethyl 2-[[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]amino]benzoate
CID 19146679

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine (CID 22546221) is 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2N)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is KNVIDNPANBCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-17-13-14-19(15-18(17)2)28-23-22(25)24(27-16-26-23)29-30(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,25H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 396.50 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-(2,2-diphenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22546221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).