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

C22H21ClN4O — CID 109370002

IUPAC[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(NCc2ccccc2Cl)cc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H21ClN4O/c1-14-11-16-7-4-6-10-20(16)27(14)22(28)19-12-21(26-15(2)25-19)24-13-17-8-3-5-9-18(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,25,26)
InChIKeyINLRAJMOVPTMEI-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.64
Rot. Bonds4

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

[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109370002) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109370002
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1nc(NCc2ccccc2Cl)cc(C(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C22H21ClN4O/c1-14-11-16-7-4-6-10-20(16)27(14)22(28)19-12-21(26-15(2)25-19)24-13-17-8-3-5-9-18(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,25,26)
InChIKeyINLRAJMOVPTMEI-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109119714
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112850083
(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
[6-(3,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112851113
N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089809
[6-(dipropylamino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112847541
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
(2-methyl-2,3-dihydroindol-1-yl)-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280473
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109370002) is [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1nc(NCc2ccccc2Cl)cc(C(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is INLRAJMOVPTMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14-11-16-7-4-6-10-20(16)27(14)22(28)19-12-21(26-15(2)25-19)24-13-17-8-3-5-9-18(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,25,26).
What are the key properties of [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 392.89 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109370002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).