4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine

C16H22N4S — CID 103325254

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCC3CCCCC3C2)c2ccsc2n1
InChIInChI=1S/C16H22N4S/c1-17-16-18-14(13-7-9-21-15(13)19-16)20-8-6-11-4-2-3-5-12(11)10-20/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,18,19)
InChIKeyYZHZERRIIQOUMB-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.75
Rot. Bonds2

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103325254) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103325254
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCC3CCCCC3C2)c2ccsc2n1
InChIInChI=1S/C16H22N4S/c1-17-16-18-14(13-7-9-21-15(13)19-16)20-8-6-11-4-2-3-5-12(11)10-20/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,18,19)
InChIKeyYZHZERRIIQOUMB-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 103329723
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
4-(2,4-dimethylpiperidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327188

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103325254) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCC3CCCCC3C2)c2ccsc2n1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YZHZERRIIQOUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-17-16-18-14(13-7-9-21-15(13)19-16)20-8-6-11-4-2-3-5-12(11)10-20/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,18,19).
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103325254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).