tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate

C13H20N4O3 — CID 172992700

IUPACtert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1ncc(N)cn1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-4-5-19-8-10(17)11-15-6-9(14)7-16-11/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyIIJPTABEMXWJRO-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate

tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate (PubChem CID 172992700) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
PubChem CID172992700
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1ncc(N)cn1
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-4-5-19-8-10(17)11-15-6-9(14)7-16-11/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyIIJPTABEMXWJRO-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 3-[1-(5-amino-3-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]morpholine-4-carboxylate
CID 177148199
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
CID 124709726
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
tert-butyl (3S)-3-(4-amino-2-chlorophenyl)morpholine-4-carboxylate
CID 172748859
tert-butyl (3R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 59450054
tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
CID 164912666
2-chloro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118540100
tert-butyl 3-(5-amino-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 146193874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate (CID 172992700) is tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1c1ncc(N)cn1.
What is the InChIKey of tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate?
The InChIKey is IIJPTABEMXWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-4-5-19-8-10(17)11-15-6-9(14)7-16-11/h6-7,10H,4-5,8,14H2,1-3H3.
What are the key properties of tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate?
tert-butyl 3-(5-aminopyrimidin-2-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 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 172992700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).