4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

C24H22N6 — CID 22543232

IUPAC4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C24H22N6/c25-22-23(26-17-27-24(22)29-16-15-18-9-7-8-14-21(18)29)28-30(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16,25H2,(H,26,27,28)
InChIKeyCNYUNQIKVIVTFR-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.92
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine

4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (PubChem CID 22543232) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
PubChem CID22543232
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C24H22N6/c25-22-23(26-17-27-24(22)29-16-15-18-9-7-8-14-21(18)29)28-30(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16,25H2,(H,26,27,28)
InChIKeyCNYUNQIKVIVTFR-UHFFFAOYSA-N
XLogP4.92
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.92
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

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
4-(2,2-diphenylhydrazinyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19138923
4-(2,2-dimethylhydrazinyl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19145545
6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542915

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine (CID 22543232) is 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is CNYUNQIKVIVTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c25-22-23(26-17-27-24(22)29-16-15-18-9-7-8-14-21(18)29)28-30(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16,25H2,(H,26,27,28).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine?
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 394.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 22543232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).