2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone

C22H22N4O — CID 109314535

IUPAC2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C22H22N4O/c1-3-25(18-9-6-7-16(2)15-18)22-23-13-11-19(24-22)21(27)26-14-12-17-8-4-5-10-20(17)26/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyMHGBINHUICMBIT-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.15
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone (PubChem CID 109314535) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
PubChem CID109314535
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C22H22N4O/c1-3-25(18-9-6-7-16(2)15-18)22-23-13-11-19(24-22)21(27)26-14-12-17-8-4-5-10-20(17)26/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyMHGBINHUICMBIT-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)-4-pyridinyl]methanone
CID 109176460
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299032
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 112898489

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone (CID 109314535) is 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone is CCN(c1cccc(C)c1)c1nccc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone?
The InChIKey is MHGBINHUICMBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-25(18-9-6-7-16(2)15-18)22-23-13-11-19(24-22)21(27)26-14-12-17-8-4-5-10-20(17)26/h4-11,13,15H,3,12,14H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109314535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).