7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C6H6N4OS — CID 57476597

IUPAC7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1ncnc2sc(N)nc12
InChIInChI=1S/C6H6N4OS/c1-11-4-3-5(9-2-8-4)12-6(7)10-3/h2H,1H3,(H2,7,10)
InChIKeyQPKYPGWRTFUFOU-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.68
Rot. Bonds1

About 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 57476597) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID57476597
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1ncnc2sc(N)nc12
InChIInChI=1S/C6H6N4OS/c1-11-4-3-5(9-2-8-4)12-6(7)10-3/h2H,1H3,(H2,7,10)
InChIKeyQPKYPGWRTFUFOU-UHFFFAOYSA-N
XLogP0.68
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 57476597) is 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is COc1ncnc2sc(N)nc12.
What is the InChIKey of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is QPKYPGWRTFUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-11-4-3-5(9-2-8-4)12-6(7)10-3/h2H,1H3,(H2,7,10).
What are the key properties of 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 182.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 57476597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).