tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate

C12H17N3O2 — CID 67382235

IUPACtert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccncn1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15(9-4-5-9)10-6-7-13-8-14-10/h6-9H,4-5H2,1-3H3
InChIKeyIKJUDOKXEQRIFL-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate

tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate (PubChem CID 67382235) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
PubChem CID67382235
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccncn1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15(9-4-5-9)10-6-7-13-8-14-10/h6-9H,4-5H2,1-3H3
InChIKeyIKJUDOKXEQRIFL-UHFFFAOYSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate (CID 67382235) is tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate is CC(C)(C)OC(=O)N(c1ccncn1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate?
The InChIKey is IKJUDOKXEQRIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15(9-4-5-9)10-6-7-13-8-14-10/h6-9H,4-5H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate?
tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate has a molecular weight of 235.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate is sourced from PubChem (CID 67382235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).