[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H22N4O2 — CID 109269735

IUPAC[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C22H22N4O2/c1-3-28-20-11-7-5-9-18(20)25-22-23-13-17(14-24-22)21(27)26-15(2)12-16-8-4-6-10-19(16)26/h4-11,13-15H,3,12H2,1-2H3,(H,23,24,25)
InChIKeyPGODGJWJOUFXAS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds5

About [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109269735) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109269735
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCOc1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1
InChIInChI=1S/C22H22N4O2/c1-3-28-20-11-7-5-9-18(20)25-22-23-13-17(14-24-22)21(27)26-15(2)12-16-8-4-6-10-19(16)26/h4-11,13-15H,3,12H2,1-2H3,(H,23,24,25)
InChIKeyPGODGJWJOUFXAS-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
CID 109267896
(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109270011
[6-(2-ethoxyanilino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109129448
N-(2-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108992032
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3690103
N-(2-ethoxyphenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108983131
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109269735) is [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCOc1ccccc1Nc1ncc(C(=O)N2c3ccccc3CC2C)cn1.
What is the InChIKey of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PGODGJWJOUFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-28-20-11-7-5-9-18(20)25-22-23-13-17(14-24-22)21(27)26-15(2)12-16-8-4-6-10-19(16)26/h4-11,13-15H,3,12H2,1-2H3,(H,23,24,25).
What are the key properties of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109269735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).