[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H19ClN4O — CID 112850083

IUPAC[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(Nc2cccc(Cl)c2)cc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H19ClN4O/c1-13-10-15-6-3-4-9-19(15)26(13)21(27)18-12-20(24-14(2)23-18)25-17-8-5-7-16(22)11-17/h3-9,11-13H,10H2,1-2H3,(H,23,24,25)
InChIKeyNIZRNUKBZYORAV-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.77
Rot. Bonds3

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

[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112850083) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112850083
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(Nc2cccc(Cl)c2)cc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H19ClN4O/c1-13-10-15-6-3-4-9-19(15)26(13)21(27)18-12-20(24-14(2)23-18)25-17-8-5-7-16(22)11-17/h3-9,11-13H,10H2,1-2H3,(H,23,24,25)
InChIKeyNIZRNUKBZYORAV-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112851113
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109370002
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112847541
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848726
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848727

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 112850083) is [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1nc(Nc2cccc(Cl)c2)cc(C(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NIZRNUKBZYORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-13-10-15-6-3-4-9-19(15)26(13)21(27)18-12-20(24-14(2)23-18)25-17-8-5-7-16(22)11-17/h3-9,11-13H,10H2,1-2H3,(H,23,24,25).
What are the key properties of [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 378.86 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112850083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).