2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone

C21H20N4O — CID 109314466

IUPAC2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone
SMILESCCc1ccc(Nc2nccc(C(=O)N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)23-21-22-13-11-18(24-21)20(26)25-14-12-16-5-3-4-6-19(16)25/h3-11,13H,2,12,14H2,1H3,(H,22,23,24)
InChIKeyWRKMSGKVNSLEHY-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.99
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone (PubChem CID 109314466) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone
PubChem CID109314466
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone
SMILESCCc1ccc(Nc2nccc(C(=O)N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)23-21-22-13-11-18(24-21)20(26)25-14-12-16-5-3-4-6-19(16)25/h3-11,13H,2,12,14H2,1H3,(H,22,23,24)
InChIKeyWRKMSGKVNSLEHY-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone 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

3,4-dihydro-2H-quinolin-1-yl-[2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109314651
[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109314479
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490
3-[[4-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109314533
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005
4-[2-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302900
[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109314663
methyl 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109314656
2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone
CID 109300052

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone (CID 109314466) is 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone is CCc1ccc(Nc2nccc(C(=O)N3CCc4ccccc43)n2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone?
The InChIKey is WRKMSGKVNSLEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)23-21-22-13-11-18(24-21)20(26)25-14-12-16-5-3-4-6-19(16)25/h3-11,13H,2,12,14H2,1H3,(H,22,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109314466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).