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

C22H22N4O — CID 109330622

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-14-20(24-22(23-16)25(2)19-10-4-3-5-11-19)21(27)26-13-12-17-8-6-7-9-18(17)15-26/h3-11,14H,12-13,15H2,1-2H3
InChIKeyUIMZBFCTHSHVNV-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.75
Rot. Bonds3

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

3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone (PubChem CID 109330622) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
PubChem CID109330622
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-14-20(24-22(23-16)25(2)19-10-4-3-5-11-19)21(27)26-13-12-17-8-6-7-9-18(17)15-26/h3-11,14H,12-13,15H2,1-2H3
InChIKeyUIMZBFCTHSHVNV-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109328004
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318902
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330627
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrimidine-4-carboxylic acid
CID 117212978
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
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323127
[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325932
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330651
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone (CID 109330622) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCc3ccccc3C2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone?
The InChIKey is UIMZBFCTHSHVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-14-20(24-22(23-16)25(2)19-10-4-3-5-11-19)21(27)26-13-12-17-8-6-7-9-18(17)15-26/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 3.75, 3 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-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).