3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone

C23H24N4O — CID 109328004

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-16-14-21(22(28)27-13-12-19-10-6-7-11-20(19)15-27)26-23(24-16)25-17(2)18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyRYYMQFDWYXPIAG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.16
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone (PubChem CID 109328004) 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-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone
PubChem CID109328004
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-16-14-21(22(28)27-13-12-19-10-6-7-11-20(19)15-27)26-23(24-16)25-17(2)18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyRYYMQFDWYXPIAG-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109304723
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109327086
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318902
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330627
3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330639
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109327790
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330651
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109330622
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308124

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone (CID 109328004) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCc3ccccc3C2)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone?
The InChIKey is RYYMQFDWYXPIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-14-21(22(28)27-13-12-19-10-6-7-11-20(19)15-27)26-23(24-16)25-17(2)18-8-4-3-5-9-18/h3-11,14,17H,12-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.16, 4 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-methyl-2-(1-phenylethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109328004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).