tert-butyl N-pyrimidin-4-ylcarbamate

C9H13N3O2 — CID 86810506

IUPACtert-butyl N-pyrimidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccncn1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)14-8(13)12-7-4-5-10-6-11-7/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyHQDFCVJKBQIQFG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.82
Rot. Bonds1

About tert-butyl N-pyrimidin-4-ylcarbamate

tert-butyl N-pyrimidin-4-ylcarbamate (PubChem CID 86810506) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is tert-butyl N-pyrimidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-pyrimidin-4-ylcarbamate
PubChem CID86810506
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nametert-butyl N-pyrimidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccncn1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)14-8(13)12-7-4-5-10-6-11-7/h4-6H,1-3H3,(H,10,11,12,13)
InChIKeyHQDFCVJKBQIQFG-UHFFFAOYSA-N
XLogP1.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pyrimidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-pyrimidin-4-ylcarbamate (CID 86810506) is tert-butyl N-pyrimidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-pyrimidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-pyrimidin-4-ylcarbamate is CC(C)(C)OC(=O)Nc1ccncn1.
What is the InChIKey of tert-butyl N-pyrimidin-4-ylcarbamate?
The InChIKey is HQDFCVJKBQIQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)14-8(13)12-7-4-5-10-6-11-7/h4-6H,1-3H3,(H,10,11,12,13).
What are the key properties of tert-butyl N-pyrimidin-4-ylcarbamate?
tert-butyl N-pyrimidin-4-ylcarbamate has a molecular weight of 195.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pyrimidin-4-ylcarbamate is sourced from PubChem (CID 86810506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).