8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine

C8H9N5S — CID 130016922

IUPAC8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine
SMILESNc1ncnc2c1nc1n2CCCS1
InChIInChI=1S/C8H9N5S/c9-6-5-7(11-4-10-6)13-2-1-3-14-8(13)12-5/h4H,1-3H2,(H2,9,10,11)
InChIKeyOJSGMNUVOYGVHZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.90
Rot. Bonds

About 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine

8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine (PubChem CID 130016922) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine.

Molecular Properties

Compound Name8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine
PubChem CID130016922
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine
SMILESNc1ncnc2c1nc1n2CCCS1
InChIInChI=1S/C8H9N5S/c9-6-5-7(11-4-10-6)13-2-1-3-14-8(13)12-5/h4H,1-3H2,(H2,9,10,11)
InChIKeyOJSGMNUVOYGVHZ-UHFFFAOYSA-N
XLogP0.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-9-methylpurin-6-amine
CID 822296
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
8-(2-aminoethyl)purine-6,9-diamine
CID 57290329
4-chloro-6,7,8,9-tetrahydropurino[9,8-a]pyridine
CID 53213130
4-pyrrolidin-1-yl-6,7,8,9-tetrahydropurino[9,8-a]pyridine
CID 20912658
8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
CID 91285974
(2R,3S,4S,5S)-2-(6-amino-8-piperidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 40527691
(2S,3S,4R,5S)-2-(6-amino-8-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 43811134
9-(cyclobutylidenemethyl)purin-6-amine
CID 91149333
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
8-bromo-9-propylpurin-6-amine
CID 11849871

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine?
The IUPAC name of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine (CID 130016922) is 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine.
What is the SMILES notation for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine?
The canonical SMILES for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine is Nc1ncnc2c1nc1n2CCCS1.
What is the InChIKey of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine?
The InChIKey is OJSGMNUVOYGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-6-5-7(11-4-10-6)13-2-1-3-14-8(13)12-5/h4H,1-3H2,(H2,9,10,11).
What are the key properties of 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine?
8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine has a molecular weight of 207.26 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-purino[8,9-b][1,3]thiazin-4-amine is sourced from PubChem (CID 130016922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).