2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

C14H22N4O2 — CID 94202931

IUPAC2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CN(C)c2cnccn2)CC(C)(C)O1
InChIInChI=1S/C14H22N4O2/c1-11-8-18(10-14(2,3)20-11)13(19)9-17(4)12-7-15-5-6-16-12/h5-7,11H,8-10H2,1-4H3/t11-/m0/s1
InChIKeyVBPNKXMUIQLKAQ-NSHDSACASA-N
MW278.36 g/mol
LogP0.94
Rot. Bonds3

About 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (PubChem CID 94202931) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
PubChem CID94202931
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CN(C)c2cnccn2)CC(C)(C)O1
InChIInChI=1S/C14H22N4O2/c1-11-8-18(10-14(2,3)20-11)13(19)9-17(4)12-7-15-5-6-16-12/h5-7,11H,8-10H2,1-4H3/t11-/m0/s1
InChIKeyVBPNKXMUIQLKAQ-NSHDSACASA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (CID 94202931) is 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)CN(C)c2cnccn2)CC(C)(C)O1.
What is the InChIKey of 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The InChIKey is VBPNKXMUIQLKAQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-8-18(10-14(2,3)20-11)13(19)9-17(4)12-7-15-5-6-16-12/h5-7,11H,8-10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94202931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).