6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one

C16H17N3O2 — CID 167783026

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cc(COc2ccc3c(c2)CCNC3=O)nc(C)n1
InChIInChI=1S/C16H17N3O2/c1-10-7-13(19-11(2)18-10)9-21-14-3-4-15-12(8-14)5-6-17-16(15)20/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyGBKZXSJTPGOEMA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.96
Rot. Bonds3

About 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one

6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 167783026) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID167783026
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cc(COc2ccc3c(c2)CCNC3=O)nc(C)n1
InChIInChI=1S/C16H17N3O2/c1-10-7-13(19-11(2)18-10)9-21-14-3-4-15-12(8-14)5-6-17-16(15)20/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20)
InChIKeyGBKZXSJTPGOEMA-UHFFFAOYSA-N
XLogP1.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one (CID 167783026) is 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one is Cc1cc(COc2ccc3c(c2)CCNC3=O)nc(C)n1.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is GBKZXSJTPGOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-13(19-11(2)18-10)9-21-14-3-4-15-12(8-14)5-6-17-16(15)20/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,20).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one?
6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 283.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 167783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).