[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

C22H22N4O — CID 109258457

IUPAC[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-2-25(16-17-8-4-3-5-9-17)22-23-14-19(15-24-22)21(27)26-13-12-18-10-6-7-11-20(18)26/h3-11,14-15H,2,12-13,16H2,1H3
InChIKeyPPCPIMVQBGACOJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.71
Rot. Bonds5

About [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109258457) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109258457
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N4O/c1-2-25(16-17-8-4-3-5-9-17)22-23-14-19(15-24-22)21(27)26-13-12-18-10-6-7-11-20(18)26/h3-11,14-15H,2,12-13,16H2,1H3
InChIKeyPPCPIMVQBGACOJ-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
CID 109266231
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109306718
[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109329497
[5-[benzyl(propan-2-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109239741
1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109258457) is [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is CCN(Cc1ccccc1)c1ncc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PPCPIMVQBGACOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-25(16-17-8-4-3-5-9-17)22-23-14-19(15-24-22)21(27)26-13-12-18-10-6-7-11-20(18)26/h3-11,14-15H,2,12-13,16H2,1H3.
What are the key properties of [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109258457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).