tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate

C13H20N4O3 — CID 172992087

IUPACtert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccnc(N)n2)C1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-6-7-19-10(8-17)9-4-5-15-11(14)16-9/h4-5,10H,6-8H2,1-3H3,(H2,14,15,16)
InChIKeyPIBPEQIFAZIJLS-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate

tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate (PubChem CID 172992087) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
PubChem CID172992087
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccnc(N)n2)C1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-6-7-19-10(8-17)9-4-5-15-11(14)16-9/h4-5,10H,6-8H2,1-3H3,(H2,14,15,16)
InChIKeyPIBPEQIFAZIJLS-UHFFFAOYSA-N
XLogP1.37
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
CID 152901440
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
tert-butyl 2-(5-bromo-3-methyl-2-pyridinyl)morpholine-4-carboxylate
CID 118485004
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate (CID 172992087) is tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2ccnc(N)n2)C1.
What is the InChIKey of tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate?
The InChIKey is PIBPEQIFAZIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-6-7-19-10(8-17)9-4-5-15-11(14)16-9/h4-5,10H,6-8H2,1-3H3,(H2,14,15,16).
What are the key properties of tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate?
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate is sourced from PubChem (CID 172992087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).