(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone

C23H24N4O — CID 109267896

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C23H24N4O/c1-15(2)19-9-5-6-10-20(19)26-23-24-13-18(14-25-23)22(28)27-16(3)12-17-8-4-7-11-21(17)27/h4-11,13-16H,12H2,1-3H3,(H,24,25,26)
InChIKeyHUIIFJSQRTWMLF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.93
Rot. Bonds4

About (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone (PubChem CID 109267896) 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)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
PubChem CID109267896
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C23H24N4O/c1-15(2)19-9-5-6-10-20(19)26-23-24-13-18(14-25-23)22(28)27-16(3)12-17-8-4-7-11-21(17)27/h4-11,13-16H,12H2,1-3H3,(H,24,25,26)
InChIKeyHUIIFJSQRTWMLF-UHFFFAOYSA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109269735
(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109270011
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(2-propan-2-ylanilino)propan-1-one
CID 109036822
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone (CID 109267896) is (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone is CC(C)c1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone?
The InChIKey is HUIIFJSQRTWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(2)19-9-5-6-10-20(19)26-23-24-13-18(14-25-23)22(28)27-16(3)12-17-8-4-7-11-21(17)27/h4-11,13-16H,12H2,1-3H3,(H,24,25,26).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.93, 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-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109267896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).