tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate

C14H22N4O2 — CID 153291320

IUPACtert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nccc(N)n2)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-5-10(9-18)12-16-7-6-11(15)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)
InChIKeySODFNYQZVMFMTF-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.17
Rot. Bonds1

About tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 153291320) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID153291320
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nccc(N)n2)C1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-5-10(9-18)12-16-7-6-11(15)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17)
InChIKeySODFNYQZVMFMTF-UHFFFAOYSA-N
XLogP2.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293
tert-butyl (3S)-3-(4-methylpyrimidin-2-yl)sulfanylpiperidine-1-carboxylate
CID 97031833
tert-butyl 3-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-1-carboxylate
CID 139481930
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
tert-butyl 3-pyrimidin-2-ylsulfanylpiperidine-1-carboxylate
CID 71302839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate (CID 153291320) is tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nccc(N)n2)C1.
What is the InChIKey of tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is SODFNYQZVMFMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-5-10(9-18)12-16-7-6-11(15)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 153291320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).