4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C22H26N4OS — CID 2561349

IUPAC4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCc4ccccc4C3)c2c1C
InChIInChI=1S/C22H26N4OS/c1-15-16(2)28-22-20(15)21(23-19(24-22)14-25-9-11-27-12-10-25)26-8-7-17-5-3-4-6-18(17)13-26/h3-6H,7-14H2,1-2H3
InChIKeyQDZUAYJZMWHZRS-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.70
Rot. Bonds3

About 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 2561349) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID2561349
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCc4ccccc4C3)c2c1C
InChIInChI=1S/C22H26N4OS/c1-15-16(2)28-22-20(15)21(23-19(24-22)14-25-9-11-27-12-10-25)26-8-7-17-5-3-4-6-18(17)13-26/h3-6H,7-14H2,1-2H3
InChIKeyQDZUAYJZMWHZRS-UHFFFAOYSA-N
XLogP3.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 2561349) is 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(N3CCc4ccccc4C3)c2c1C.
What is the InChIKey of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is QDZUAYJZMWHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-16(2)28-22-20(15)21(23-19(24-22)14-25-9-11-27-12-10-25)26-8-7-17-5-3-4-6-18(17)13-26/h3-6H,7-14H2,1-2H3.
What are the key properties of 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 394.54 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 2561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).