tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate

C14H19N5O2S — CID 155677592

IUPACtert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
SMILESCc1nc(N(C)C(=O)OC(C)(C)C)sc1-c1ccnc(N)n1
InChIInChI=1S/C14H19N5O2S/c1-8-10(9-6-7-16-11(15)18-9)22-12(17-8)19(5)13(20)21-14(2,3)4/h6-7H,1-5H3,(H2,15,16,18)
InChIKeyGRYIYCQXZIHDQL-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate

tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate (PubChem CID 155677592) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
PubChem CID155677592
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Nametert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate
SMILESCc1nc(N(C)C(=O)OC(C)(C)C)sc1-c1ccnc(N)n1
InChIInChI=1S/C14H19N5O2S/c1-8-10(9-6-7-16-11(15)18-9)22-12(17-8)19(5)13(20)21-14(2,3)4/h6-7H,1-5H3,(H2,15,16,18)
InChIKeyGRYIYCQXZIHDQL-UHFFFAOYSA-N
XLogP2.86
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate (CID 155677592) is tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate is Cc1nc(N(C)C(=O)OC(C)(C)C)sc1-c1ccnc(N)n1.
What is the InChIKey of tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?
The InChIKey is GRYIYCQXZIHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8-10(9-6-7-16-11(15)18-9)22-12(17-8)19(5)13(20)21-14(2,3)4/h6-7H,1-5H3,(H2,15,16,18).
What are the key properties of tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate?
tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate has a molecular weight of 321.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylcarbamate is sourced from PubChem (CID 155677592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).