tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate

C12H19N3O2 — CID 143675559

IUPACtert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCc1cc(C)nc(NCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyWNKGJFBWUJTUBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate

tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate (PubChem CID 143675559) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
PubChem CID143675559
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
SMILESCc1cc(C)nc(NCC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15)
InChIKeyWNKGJFBWUJTUBY-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate (CID 143675559) is tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate is Cc1cc(C)nc(NCC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
The InChIKey is WNKGJFBWUJTUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-9(2)15-11(14-8)13-7-10(16)17-12(3,4)5/h6H,7H2,1-5H3,(H,13,14,15).
What are the key properties of tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate?
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 143675559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).