3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone

C23H24N4O — CID 109371727

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
SMILESCCN(c1ccccc1)c1cc(C(=O)N2CCc3ccccc3C2)nc(C)n1
InChIInChI=1S/C23H24N4O/c1-3-27(20-11-5-4-6-12-20)22-15-21(24-17(2)25-22)23(28)26-14-13-18-9-7-8-10-19(18)16-26/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyUQUKGBYKTILPOL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.14
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone (PubChem CID 109371727) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
PubChem CID109371727
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
SMILESCCN(c1ccccc1)c1cc(C(=O)N2CCc3ccccc3C2)nc(C)n1
InChIInChI=1S/C23H24N4O/c1-3-27(20-11-5-4-6-12-20)22-15-21(24-17(2)25-22)23(28)26-14-13-18-9-7-8-10-19(18)16-26/h4-12,15H,3,13-14,16H2,1-2H3
InChIKeyUQUKGBYKTILPOL-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109330622
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
CID 109158481
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371723
1-[4-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871236
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371759
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
3,4-dihydro-1H-isoquinolin-2-yl-[6-(dipropylamino)pyrimidin-4-yl]methanone
CID 109350765

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone (CID 109371727) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone is CCN(c1ccccc1)c1cc(C(=O)N2CCc3ccccc3C2)nc(C)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone?
The InChIKey is UQUKGBYKTILPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-27(20-11-5-4-6-12-20)22-15-21(24-17(2)25-22)23(28)26-14-13-18-9-7-8-10-19(18)16-26/h4-12,15H,3,13-14,16H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109371727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).