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

C13H21N5O2 — CID 59464319

IUPACtert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7,14H2,1-3H3
InChIKeyUOFXCDLVMBOPFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.12
Rot. Bonds1

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

tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 59464319) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID59464319
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Nametert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(N)cn2)CC1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7,14H2,1-3H3
InChIKeyUOFXCDLVMBOPFE-UHFFFAOYSA-N
XLogP1.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-aminopyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 114518320
tert-butyl 4-[5-(hydroxymethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 140897250
5-bromo-2-chloropyrimidine;tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CID 157454691
1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-5-yl]piperidine-4-carboxylic acid
CID 155677799
tert-butyl 4-(4-chloro-5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 166859455
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
tert-butyl 4-(5-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 71748362
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 4-[4,6-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-1,3,5-triazin-2-yl]-1,4-diazepane-1-carboxylate
CID 90317962
ethyl 2-[4-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]ethyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 146223682
tert-butyl 4-(2-methylsulfonylpyrimidin-5-yl)piperazine-1-carboxylate
CID 168896507

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate (CID 59464319) is tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(N)cn2)CC1.
What is the InChIKey of tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is UOFXCDLVMBOPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7,14H2,1-3H3.
What are the key properties of tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.12, 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-aminopyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 59464319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).