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

C15H24N4O2 — CID 59818088

IUPACtert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ncncc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-4-11(5-7-19)8-13-12(16)9-17-10-18-13/h9-11H,4-8,16H2,1-3H3
InChIKeyVNVFRUTWXKCULZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.25
Rot. Bonds2

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

tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 59818088) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate
PubChem CID59818088
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ncncc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-4-11(5-7-19)8-13-12(16)9-17-10-18-13/h9-11H,4-8,16H2,1-3H3
InChIKeyVNVFRUTWXKCULZ-UHFFFAOYSA-N
XLogP2.25
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate (CID 59818088) is tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2ncncc2N)CC1.
What is the InChIKey of tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is VNVFRUTWXKCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-6-4-11(5-7-19)8-13-12(16)9-17-10-18-13/h9-11H,4-8,16H2,1-3H3.
What are the key properties of tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-aminopyrimidin-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).