tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate

C11H17N3O2 — CID 23655035

IUPACtert-butyl N-(2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1cncnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-6-12-8-13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyHPGJWOQWEHVIEC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate

tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate (PubChem CID 23655035) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrimidin-5-ylethyl)carbamate
PubChem CID23655035
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-(2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCc1cncnc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-6-12-8-13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyHPGJWOQWEHVIEC-UHFFFAOYSA-N
XLogP1.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate (CID 23655035) is tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate is CC(C)(C)OC(=O)NCCc1cncnc1.
What is the InChIKey of tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate?
The InChIKey is HPGJWOQWEHVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-6-12-8-13-7-9/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate?
tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyrimidin-5-ylethyl)carbamate is sourced from PubChem (CID 23655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).