(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone

C23H24N4O — CID 109330430

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-16-14-20(22(28)27-17(2)15-19-10-6-7-11-21(19)27)26-23(25-16)24-13-12-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyZLWIACZYHFMVSB-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.03
Rot. Bonds5

About (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone (PubChem CID 109330430) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
PubChem CID109330430
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCc2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-16-14-20(22(28)27-17(2)15-19-10-6-7-11-21(19)27)26-23(25-16)24-13-12-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyZLWIACZYHFMVSB-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
(2-methyl-2,3-dihydroindol-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109311011
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109193714
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109304559
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 138012732

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone (CID 109330430) is (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2c3ccccc3CC2C)nc(NCCc2ccccc2)n1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone?
The InChIKey is ZLWIACZYHFMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-14-20(22(28)27-17(2)15-19-10-6-7-11-21(19)27)26-23(25-16)24-13-12-18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.03, 5 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)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109330430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).