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

C20H21N5 — CID 22543176

IUPAC6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCc2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C20H21N5/c21-18-19(22-12-10-15-6-2-1-3-7-15)23-14-24-20(18)25-13-11-16-8-4-5-9-17(16)25/h1-9,14H,10-13,21H2,(H,22,23,24)
InChIKeyWBNYRKDZWYYOTA-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.41
Rot. Bonds5

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

6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (PubChem CID 22543176) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
PubChem CID22543176
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCc2ccccc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C20H21N5/c21-18-19(22-12-10-15-6-2-1-3-7-15)23-14-24-20(18)25-13-11-16-8-4-5-9-17(16)25/h1-9,14H,10-13,21H2,(H,22,23,24)
InChIKeyWBNYRKDZWYYOTA-UHFFFAOYSA-N
XLogP3.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-(2,3-dihydroindol-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542915
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
CID 22539480
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
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-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 19137988
6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80767440

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine (CID 22543176) is 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine is Nc1c(NCCc2ccccc2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
The InChIKey is WBNYRKDZWYYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c21-18-19(22-12-10-15-6-2-1-3-7-15)23-14-24-20(18)25-13-11-16-8-4-5-9-17(16)25/h1-9,14H,10-13,21H2,(H,22,23,24).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine?
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine has a molecular weight of 331.42 g/mol, XLogP of 3.41, 5 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-(2-phenylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22543176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).