4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine

C16H15N3S — CID 133407195

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCc4ccccc4C3)ncnc2s1
InChIInChI=1S/C16H15N3S/c1-11-8-14-15(17-10-18-16(14)20-11)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3
InChIKeyQUSVERKWWYUNQF-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.56
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133407195) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID133407195
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCc4ccccc4C3)ncnc2s1
InChIInChI=1S/C16H15N3S/c1-11-8-14-15(17-10-18-16(14)20-11)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3
InChIKeyQUSVERKWWYUNQF-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine (CID 133407195) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCc4ccccc4C3)ncnc2s1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is QUSVERKWWYUNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-8-14-15(17-10-18-16(14)20-11)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 281.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).