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

C23H24N4O2 — CID 109351469

IUPAC[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(CCNc2cc(C(=O)N3c4ccccc4CC3C)ncn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-13-18-5-3-4-6-21(18)27(16)23(28)20-14-22(26-15-25-20)24-12-11-17-7-9-19(29-2)10-8-17/h3-10,14-16H,11-13H2,1-2H3,(H,24,25,26)
InChIKeyXVLXYSJXUWTCCP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.73
Rot. Bonds6

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

[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109351469) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109351469
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(CCNc2cc(C(=O)N3c4ccccc4CC3C)ncn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-13-18-5-3-4-6-21(18)27(16)23(28)20-14-22(26-15-25-20)24-12-11-17-7-9-19(29-2)10-8-17/h3-10,14-16H,11-13H2,1-2H3,(H,24,25,26)
InChIKeyXVLXYSJXUWTCCP-UHFFFAOYSA-N
XLogP3.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109339981
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109120246
[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109158916
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109193714
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293910

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109351469) is [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(CCNc2cc(C(=O)N3c4ccccc4CC3C)ncn2)cc1.
What is the InChIKey of [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XVLXYSJXUWTCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-13-18-5-3-4-6-21(18)27(16)23(28)20-14-22(26-15-25-20)24-12-11-17-7-9-19(29-2)10-8-17/h3-10,14-16H,11-13H2,1-2H3,(H,24,25,26).
What are the key properties of [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109351469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).