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

C14H23N5O2 — CID 122657592

IUPACtert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C14H23N5O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-11-8-16-12(15)17-9-11/h8-9H,4-7,10H2,1-3H3,(H2,15,16,17)
InChIKeyOQSDXKVAIPVSBO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.11
Rot. Bonds2

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

tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate (PubChem CID 122657592) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
PubChem CID122657592
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nametert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C14H23N5O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-11-8-16-12(15)17-9-11/h8-9H,4-7,10H2,1-3H3,(H2,15,16,17)
InChIKeyOQSDXKVAIPVSBO-UHFFFAOYSA-N
XLogP1.11
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
CID 103616556
tert-butyl 4-[(4-aminophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 104933433
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]-1,4-diazepane-1-carboxylate
CID 104933517
diethyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]pyridine-2,6-dicarboxylate
CID 67475269
tert-butyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]-1,4-diazepane-1-carboxylate
CID 104933512
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl 4-[(2,5-dimethyl-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 140551070
ditert-butyl 7-[[4-[[2,4,4,6,6-pentakis[4-[[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7-triazonan-1-yl]methyl]phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methyl]-1,4,7-triazonane-1,4-dicarboxylate
CID 71661502
tert-butyl 4-[5-(hydroxymethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 140897250
tert-butyl 4-[(8-hydroxy-7-nitroquinolin-3-yl)methyl]piperazine-1-carboxylate
CID 166150226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate (CID 122657592) is tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate?
The InChIKey is OQSDXKVAIPVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-11-8-16-12(15)17-9-11/h8-9H,4-7,10H2,1-3H3,(H2,15,16,17).
What are the key properties of tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 122657592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).