2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C11H16N4S — CID 58088273

IUPAC2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCN(C)c1ncc2nc(C(C)(C)C)sc2n1
InChIInChI=1S/C11H16N4S/c1-11(2,3)9-13-7-6-12-10(15(4)5)14-8(7)16-9/h6H,1-5H3
InChIKeyNNRQDMUUVAEGSG-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.45
Rot. Bonds1

About 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 58088273) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID58088273
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCN(C)c1ncc2nc(C(C)(C)C)sc2n1
InChIInChI=1S/C11H16N4S/c1-11(2,3)9-13-7-6-12-10(15(4)5)14-8(7)16-9/h6H,1-5H3
InChIKeyNNRQDMUUVAEGSG-UHFFFAOYSA-N
XLogP2.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 58088273) is 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is CN(C)c1ncc2nc(C(C)(C)C)sc2n1.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is NNRQDMUUVAEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-11(2,3)9-13-7-6-12-10(15(4)5)14-8(7)16-9/h6H,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 236.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 58088273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).