4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

C20H20N4 — CID 112894122

IUPAC4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20N4/c1-2-6-16(7-3-1)10-13-21-20-22-14-11-19(23-20)24-15-12-17-8-4-5-9-18(17)24/h1-9,11,14H,10,12-13,15H2,(H,21,22,23)
InChIKeyIMZORFNCGNSGQM-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.83
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 112894122) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID112894122
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20N4/c1-2-6-16(7-3-1)10-13-21-20-22-14-11-19(23-20)24-15-12-17-8-4-5-9-18(17)24/h1-9,11,14H,10,12-13,15H2,(H,21,22,23)
InChIKeyIMZORFNCGNSGQM-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-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

4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112902261
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (CID 112894122) is 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is c1ccc(CCNc2nccc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is IMZORFNCGNSGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-6-16(7-3-1)10-13-21-20-22-14-11-19(23-20)24-15-12-17-8-4-5-9-18(17)24/h1-9,11,14H,10,12-13,15H2,(H,21,22,23).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112894122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).