tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

C13H20N4O3 — CID 58190410

IUPACtert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-14-8-10(18)9-15-11/h8-9,18H,4-7H2,1-3H3
InChIKeyQEBOLTCHZIZLDV-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 58190410) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID58190410
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-14-8-10(18)9-15-11/h8-9,18H,4-7H2,1-3H3
InChIKeyQEBOLTCHZIZLDV-UHFFFAOYSA-N
XLogP1.24
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate (CID 58190410) is tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(O)cn2)CC1.
What is the InChIKey of tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is QEBOLTCHZIZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-14-8-10(18)9-15-11/h8-9,18H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 58190410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).