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

C6H6N4S — CID 58015372

IUPAC5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1ncc2nc(N)sc2n1
InChIInChI=1S/C6H6N4S/c1-3-8-2-4-5(9-3)11-6(7)10-4/h2H,1H3,(H2,7,10)
InChIKeyXTPVNGOTRRLGSD-UHFFFAOYSA-N
MW166.21 g/mol
LogP0.98
Rot. Bonds

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

5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 58015372) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID58015372
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1ncc2nc(N)sc2n1
InChIInChI=1S/C6H6N4S/c1-3-8-2-4-5(9-3)11-6(7)10-4/h2H,1H3,(H2,7,10)
InChIKeyXTPVNGOTRRLGSD-UHFFFAOYSA-N
XLogP0.98
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 58015372) is 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Cc1ncc2nc(N)sc2n1.
What is the InChIKey of 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is XTPVNGOTRRLGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-3-8-2-4-5(9-3)11-6(7)10-4/h2H,1H3,(H2,7,10).
What are the key properties of 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 166.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 58015372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).