tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate

C11H18N4O2 — CID 170912230

IUPACtert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(N)cn1
InChIInChI=1S/C11H18N4O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,12H2,1-4H3,(H,15,16)
InChIKeyRWFRGFYCRRWNHS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate

tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate (PubChem CID 170912230) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
PubChem CID170912230
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(N)cn1
InChIInChI=1S/C11H18N4O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,12H2,1-4H3,(H,15,16)
InChIKeyRWFRGFYCRRWNHS-UHFFFAOYSA-N
XLogP1.64
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate (CID 170912230) is tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ncc(N)cn1.
What is the InChIKey of tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate?
The InChIKey is RWFRGFYCRRWNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(9-13-5-8(12)6-14-9)15-10(16)17-11(2,3)4/h5-7H,12H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate?
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 170912230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).