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

C23H24N4O — CID 109371723

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H24N4O/c1-15-7-6-8-16(2)22(15)26-21-13-20(24-17(3)25-21)23(28)27-12-11-18-9-4-5-10-19(18)14-27/h4-10,13H,11-12,14H2,1-3H3,(H,24,25,26)
InChIKeyAJSKWWSGZQLNRH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.34
Rot. Bonds3

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

3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone (PubChem CID 109371723) 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-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
PubChem CID109371723
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H24N4O/c1-15-7-6-8-16(2)22(15)26-21-13-20(24-17(3)25-21)23(28)27-12-11-18-9-4-5-10-19(18)14-27/h4-10,13H,11-12,14H2,1-3H3,(H,24,25,26)
InChIKeyAJSKWWSGZQLNRH-UHFFFAOYSA-N
XLogP4.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371759
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371737
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330627
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109087857
[6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350792
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone (CID 109371723) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone is Cc1nc(Nc2c(C)cccc2C)cc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone?
The InChIKey is AJSKWWSGZQLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-7-6-8-16(2)22(15)26-21-13-20(24-17(3)25-21)23(28)27-12-11-18-9-4-5-10-19(18)14-27/h4-10,13H,11-12,14H2,1-3H3,(H,24,25,26).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 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-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109371723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).