5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol

C18H19N3O3S — CID 133408028

IUPAC5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3sc(C)cc13)CC2O
InChIInChI=1S/C18H19N3O3S/c1-10-6-11-17(19-9-20-18(11)25-10)21-7-12-14(23-2)4-5-15(24-3)16(12)13(22)8-21/h4-6,9,13,22H,7-8H2,1-3H3
InChIKeyOJCNNGYWVDEETF-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.07
Rot. Bonds3

About 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol

5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 133408028) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID133408028
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3sc(C)cc13)CC2O
InChIInChI=1S/C18H19N3O3S/c1-10-6-11-17(19-9-20-18(11)25-10)21-7-12-14(23-2)4-5-15(24-3)16(12)13(22)8-21/h4-6,9,13,22H,7-8H2,1-3H3
InChIKeyOJCNNGYWVDEETF-UHFFFAOYSA-N
XLogP3.07
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 31539569
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
5,8-dimethoxy-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 18095922
(2,6-dimethoxyphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072864
(4R)-2-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99773998
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 133117838

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol (CID 133408028) is 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(c1ncnc3sc(C)cc13)CC2O.
What is the InChIKey of 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is OJCNNGYWVDEETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-6-11-17(19-9-20-18(11)25-10)21-7-12-14(23-2)4-5-15(24-3)16(12)13(22)8-21/h4-6,9,13,22H,7-8H2,1-3H3.
What are the key properties of 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol?
5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 357.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 133408028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).