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

C19H21N3O3S — CID 31539569

IUPAC(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCCc1cc2c(N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)ncnc2s1
InChIInChI=1S/C19H21N3O3S/c1-4-11-7-12-18(20-10-21-19(12)26-11)22-8-13-15(24-2)5-6-16(25-3)17(13)14(23)9-22/h5-7,10,14,23H,4,8-9H2,1-3H3/t14-/m0/s1
InChIKeyOKSZUDRKPPPHES-AWEZNQCLSA-N
MW371.46 g/mol
LogP3.32
Rot. Bonds4

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

(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 31539569) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID31539569
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCCc1cc2c(N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)ncnc2s1
InChIInChI=1S/C19H21N3O3S/c1-4-11-7-12-18(20-10-21-19(12)26-11)22-8-13-15(24-2)5-6-16(25-3)17(13)14(23)9-22/h5-7,10,14,23H,4,8-9H2,1-3H3/t14-/m0/s1
InChIKeyOKSZUDRKPPPHES-AWEZNQCLSA-N
XLogP3.32
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 133408028
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
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
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine
CID 86772973
3-(3,4-dimethoxyphenyl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39073149
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877083
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
(E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 39073191
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol (CID 31539569) is (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is CCc1cc2c(N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)ncnc2s1.
What is the InChIKey of (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is OKSZUDRKPPPHES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-11-7-12-18(20-10-21-19(12)26-11)22-8-13-15(24-2)5-6-16(25-3)17(13)14(23)9-22/h5-7,10,14,23H,4,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol?
(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 371.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 31539569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).