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

C20H21N5 — CID 22539480

IUPAC4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
SMILESCN(Cc1ccccc1)c1ncnc(N2CCc3ccccc32)c1N
InChIInChI=1S/C20H21N5/c1-24(13-15-7-3-2-4-8-15)19-18(21)20(23-14-22-19)25-12-11-16-9-5-6-10-17(16)25/h2-10,14H,11-13,21H2,1H3
InChIKeyCSWUVAGSRGPOOE-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.39
Rot. Bonds4

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

4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine (PubChem CID 22539480) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
PubChem CID22539480
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
SMILESCN(Cc1ccccc1)c1ncnc(N2CCc3ccccc32)c1N
InChIInChI=1S/C20H21N5/c1-24(13-15-7-3-2-4-8-15)19-18(21)20(23-14-22-19)25-12-11-16-9-5-6-10-17(16)25/h2-10,14H,11-13,21H2,1H3
InChIKeyCSWUVAGSRGPOOE-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine
CID 22539526
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
N-benzyl-6-(2,3-dihydroindol-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 23481848
N-benzyl-6-(2,3-dihydroindol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112872223
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine (CID 22539480) is 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine is CN(Cc1ccccc1)c1ncnc(N2CCc3ccccc32)c1N.
What is the InChIKey of 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is CSWUVAGSRGPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-24(13-15-7-3-2-4-8-15)19-18(21)20(23-14-22-19)25-12-11-16-9-5-6-10-17(16)25/h2-10,14H,11-13,21H2,1H3.
What are the key properties of 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine?
4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 331.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 22539480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).