tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate

C14H22N4O3 — CID 58167449

IUPACtert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(N)ncn2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-6-4-10(5-7-18)20-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyKLLXLQACGLJFOY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 58167449) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID58167449
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(N)ncn2)CC1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-6-4-10(5-7-18)20-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyKLLXLQACGLJFOY-UHFFFAOYSA-N
XLogP1.84
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150400924
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[6-[4-(2-methylsulfanylphenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498243
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498282
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 58167449) is tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cc(N)ncn2)CC1.
What is the InChIKey of tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is KLLXLQACGLJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-6-4-10(5-7-18)20-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 58167449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).