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

C6H6N4OS — CID 131113806

IUPAC2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1nc2c(N)ncnc2s1
InChIInChI=1S/C6H6N4OS/c1-11-6-10-3-4(7)8-2-9-5(3)12-6/h2H,1H3,(H2,7,8,9)
InChIKeyHFJVWPPFHLHXDT-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.68
Rot. Bonds1

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

2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 131113806) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID131113806
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1nc2c(N)ncnc2s1
InChIInChI=1S/C6H6N4OS/c1-11-6-10-3-4(7)8-2-9-5(3)12-6/h2H,1H3,(H2,7,8,9)
InChIKeyHFJVWPPFHLHXDT-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 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 131113806) is 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1nc2c(N)ncnc2s1.
What is the InChIKey of 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is HFJVWPPFHLHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-11-6-10-3-4(7)8-2-9-5(3)12-6/h2H,1H3,(H2,7,8,9).
What are the key properties of 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-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 2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 131113806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).