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

C18H22N4O — CID 109318902

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nc(C)cc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H22N4O/c1-3-9-19-18-20-13(2)11-16(21-18)17(23)22-10-8-14-6-4-5-7-15(14)12-22/h4-7,11H,3,8-10,12H2,1-2H3,(H,19,20,21)
InChIKeyNUQWKODSDHTONI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.81
Rot. Bonds4

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

3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 109318902) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
PubChem CID109318902
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1nc(C)cc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C18H22N4O/c1-3-9-19-18-20-13(2)11-16(21-18)17(23)22-10-8-14-6-4-5-7-15(14)12-22/h4-7,11H,3,8-10,12H2,1-2H3,(H,19,20,21)
InChIKeyNUQWKODSDHTONI-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109327790
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330627
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318879
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-[2-(2-ethoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330651
3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109330639
ethyl 4-[6-methyl-2-(propylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109318922
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[6-methyl-2-(propylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109318929
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109330622

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone (CID 109318902) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone is CCCNc1nc(C)cc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is NUQWKODSDHTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-9-19-18-20-13(2)11-16(21-18)17(23)22-10-8-14-6-4-5-7-15(14)12-22/h4-7,11H,3,8-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.81, 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-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109318902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).