3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

C13H20N4S — CID 114203250

IUPAC3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nsc2ncnc(NCC(C)(C)C(C)C)c12
InChIInChI=1S/C13H20N4S/c1-8(2)13(4,5)6-14-11-10-9(3)17-18-12(10)16-7-15-11/h7-8H,6H2,1-5H3,(H,14,15,16)
InChIKeyQJFRAOJEKVGDCI-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114203250) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
PubChem CID114203250
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nsc2ncnc(NCC(C)(C)C(C)C)c12
InChIInChI=1S/C13H20N4S/c1-8(2)13(4,5)6-14-11-10-9(3)17-18-12(10)16-7-15-11/h7-8H,6H2,1-5H3,(H,14,15,16)
InChIKeyQJFRAOJEKVGDCI-UHFFFAOYSA-N
XLogP3.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine (CID 114203250) is 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is Cc1nsc2ncnc(NCC(C)(C)C(C)C)c12.
What is the InChIKey of 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QJFRAOJEKVGDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(2)13(4,5)6-14-11-10-9(3)17-18-12(10)16-7-15-11/h7-8H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 264.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3-trimethylbutyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114203250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).