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

C17H16N6 — CID 22543223

IUPAC6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccnc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H16N6/c18-15-16(22-13-5-3-8-19-10-13)20-11-21-17(15)23-9-7-12-4-1-2-6-14(12)23/h1-6,8,10-11H,7,9,18H2,(H,20,21,22)
InChIKeyDVABNMQZTBMRIQ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.89
Rot. Bonds3

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

6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine (PubChem CID 22543223) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
PubChem CID22543223
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccnc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C17H16N6/c18-15-16(22-13-5-3-8-19-10-13)20-11-21-17(15)23-9-7-12-4-1-2-6-14(12)23/h1-6,8,10-11H,7,9,18H2,(H,20,21,22)
InChIKeyDVABNMQZTBMRIQ-UHFFFAOYSA-N
XLogP2.89
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
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-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
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-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
4-(2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidine
CID 22086821
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine (CID 22543223) is 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine is Nc1c(Nc2cccnc2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
The InChIKey is DVABNMQZTBMRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-15-16(22-13-5-3-8-19-10-13)20-11-21-17(15)23-9-7-12-4-1-2-6-14(12)23/h1-6,8,10-11H,7,9,18H2,(H,20,21,22).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine?
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine has a molecular weight of 304.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 22543223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).