6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine

C18H17N5 — CID 22543241

IUPAC6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H17N5/c19-16-17(22-14-7-2-1-3-8-14)20-12-21-18(16)23-11-10-13-6-4-5-9-15(13)23/h1-9,12H,10-11,19H2,(H,20,21,22)
InChIKeyLIRNROXXGLECOB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.50
Rot. Bonds3

About 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 22543241) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
PubChem CID22543241
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1c(Nc2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H17N5/c19-16-17(22-14-7-2-1-3-8-14)20-12-21-18(16)23-11-10-13-6-4-5-9-15(13)23/h1-9,12H,10-11,19H2,(H,20,21,22)
InChIKeyLIRNROXXGLECOB-UHFFFAOYSA-N
XLogP3.50
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147069
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 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine (CID 22543241) is 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine is Nc1c(Nc2ccccc2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is LIRNROXXGLECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-16-17(22-14-7-2-1-3-8-14)20-12-21-18(16)23-11-10-13-6-4-5-9-15(13)23/h1-9,12H,10-11,19H2,(H,20,21,22).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine?
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 303.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 22543241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).