(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone

C22H22N4O — CID 109304559

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
SMILESCc1ccc(CNc2nccc(C(=O)N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-24-22-23-12-11-19(25-22)21(27)26-16(2)13-18-5-3-4-6-20(18)26/h3-12,16H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyXFSSILXSHQWJOT-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.99
Rot. Bonds4

About (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone (PubChem CID 109304559) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
PubChem CID109304559
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
SMILESCc1ccc(CNc2nccc(C(=O)N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-24-22-23-12-11-19(25-22)21(27)26-16(2)13-18-5-3-4-6-20(18)26/h3-12,16H,13-14H2,1-2H3,(H,23,24,25)
InChIKeyXFSSILXSHQWJOT-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]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

(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109318302
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109120246
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109311670
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097874
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473
ethyl 4-[2-[(4-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109304473
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone (CID 109304559) is (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone is Cc1ccc(CNc2nccc(C(=O)N3c4ccccc4CC3C)n2)cc1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone?
The InChIKey is XFSSILXSHQWJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-24-22-23-12-11-19(25-22)21(27)26-16(2)13-18-5-3-4-6-20(18)26/h3-12,16H,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone has a molecular weight of 358.45 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-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).