tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate

C12H19N3O2 — CID 154824341

IUPACtert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncccn1
InChIInChI=1S/C12H19N3O2/c1-11(2,3)17-10(16)15-12(4,5)9-13-7-6-8-14-9/h6-8H,1-5H3,(H,15,16)
InChIKeyDUOSFQWQQHSKDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate

tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate (PubChem CID 154824341) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate
PubChem CID154824341
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ncccn1
InChIInChI=1S/C12H19N3O2/c1-11(2,3)17-10(16)15-12(4,5)9-13-7-6-8-14-9/h6-8H,1-5H3,(H,15,16)
InChIKeyDUOSFQWQQHSKDX-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.24
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-2-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate (CID 154824341) is tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ncccn1.
What is the InChIKey of tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate?
The InChIKey is DUOSFQWQQHSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-11(2,3)17-10(16)15-12(4,5)9-13-7-6-8-14-9/h6-8H,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate?
tert-butyl N-(2-pyrimidin-2-ylpropan-2-yl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.24, 2 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-2-ylpropan-2-yl)carbamate is sourced from PubChem (CID 154824341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).