2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

C16H20N4O3 — CID 56807665

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1cc(C)nc(N)n1)CC2O
InChIInChI=1S/C16H20N4O3/c1-9-6-14(19-16(17)18-9)20-7-10-12(22-2)4-5-13(23-3)15(10)11(21)8-20/h4-6,11,21H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyXIBVFGDTKFWZNT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 56807665) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID56807665
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1cc(C)nc(N)n1)CC2O
InChIInChI=1S/C16H20N4O3/c1-9-6-14(19-16(17)18-9)20-7-10-12(22-2)4-5-13(23-3)15(10)11(21)8-20/h4-6,11,21H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyXIBVFGDTKFWZNT-UHFFFAOYSA-N
XLogP1.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99077008
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
(4R)-2-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99773998
5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 133408028
2-[4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 70776511
5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 24508481
(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 51643283
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 112838781
(4-aminophenyl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119694107
(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 31539569
3-[(2S)-1-(2-amino-6-methylpyrimidin-4-yl)azepan-2-yl]-4-methoxyphenol
CID 146214854
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 56807665) is 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(c1cc(C)nc(N)n1)CC2O.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is XIBVFGDTKFWZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-6-14(19-16(17)18-9)20-7-10-12(22-2)4-5-13(23-3)15(10)11(21)8-20/h4-6,11,21H,7-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 316.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 56807665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).