tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate

C13H20N4O2 — CID 11975637

IUPACtert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
InChIKeyYEEDHQBGXCVRDP-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.53
Rot. Bonds1

About tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate

tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate (PubChem CID 11975637) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
PubChem CID11975637
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
InChIKeyYEEDHQBGXCVRDP-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate (CID 11975637) is tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
The InChIKey is YEEDHQBGXCVRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate?
tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 11975637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).