6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine

C16H20N4 — CID 80767440

IUPAC6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCc3ccccc32)c1CC
InChIInChI=1S/C16H20N4/c1-3-13-15(17-4-2)18-11-19-16(13)20-10-9-12-7-5-6-8-14(12)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19)
InChIKeyZOJYBJKBNMIPMS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.16
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine

6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine (PubChem CID 80767440) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
PubChem CID80767440
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCc3ccccc32)c1CC
InChIInChI=1S/C16H20N4/c1-3-13-15(17-4-2)18-11-19-16(13)20-10-9-12-7-5-6-8-14(12)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19)
InChIKeyZOJYBJKBNMIPMS-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80767441
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine
CID 80819949
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
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
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
3,5-dichloro-6-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyridin-2-amine
CID 102755251
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)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine (CID 80767440) is 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(N2CCc3ccccc32)c1CC.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is ZOJYBJKBNMIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-13-15(17-4-2)18-11-19-16(13)20-10-9-12-7-5-6-8-14(12)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80767440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).