4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine

C13H21N3O — CID 164775880

IUPAC4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
SMILESCC(C)(C)c1cnc(CN2CCOCC2)cn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12-9-14-11(8-15-12)10-16-4-6-17-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyNMWPPQRVUZPWDI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds2

About 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine

4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine (PubChem CID 164775880) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
PubChem CID164775880
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
SMILESCC(C)(C)c1cnc(CN2CCOCC2)cn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12-9-14-11(8-15-12)10-16-4-6-17-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyNMWPPQRVUZPWDI-UHFFFAOYSA-N
XLogP1.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[(5-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine
CID 91428645
[6-(morpholin-4-ylmethyl)-3-pyridinyl] 4-methylbenzenesulfonate
CID 86584502
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 130163626
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine (CID 164775880) is 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine is CC(C)(C)c1cnc(CN2CCOCC2)cn1.
What is the InChIKey of 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine?
The InChIKey is NMWPPQRVUZPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12-9-14-11(8-15-12)10-16-4-6-17-7-5-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine?
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine is sourced from PubChem (CID 164775880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).