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

C21H20N4O2 — CID 109335480

IUPAC2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)N3CCc4ccccc43)n2)c1
InChIInChI=1S/C21H20N4O2/c1-14-12-18(20(26)25-11-10-15-6-3-4-9-19(15)25)24-21(22-14)23-16-7-5-8-17(13-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)
InChIKeyYJMYIFKFUDTJOK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.74
Rot. Bonds4

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

2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 109335480) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
PubChem CID109335480
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)N3CCc4ccccc43)n2)c1
InChIInChI=1S/C21H20N4O2/c1-14-12-18(20(26)25-11-10-15-6-3-4-9-19(15)25)24-21(22-14)23-16-7-5-8-17(13-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)
InChIKeyYJMYIFKFUDTJOK-UHFFFAOYSA-N
XLogP3.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
methyl 2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335497
3-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335602
[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109335606
3,4-dihydro-2H-quinolin-1-yl-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109335576
[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109335464
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone (CID 109335480) is 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone is COc1cccc(Nc2nc(C)cc(C(=O)N3CCc4ccccc43)n2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is YJMYIFKFUDTJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-12-18(20(26)25-11-10-15-6-3-4-9-19(15)25)24-21(22-14)23-16-7-5-8-17(13-16)27-2/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109335480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).