1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one

C13H22N4O2 — CID 115324123

IUPAC1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CNCCO2)c1=O
InChIInChI=1S/C13H22N4O2/c1-10(2)9-17-5-3-15-12(13(17)18)16-8-11-7-14-4-6-19-11/h3,5,10-11,14H,4,6-9H2,1-2H3,(H,15,16)
InChIKeyCFUHFWBYCZGLGU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.30
Rot. Bonds5

About 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one

1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one (PubChem CID 115324123) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one
PubChem CID115324123
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CNCCO2)c1=O
InChIInChI=1S/C13H22N4O2/c1-10(2)9-17-5-3-15-12(13(17)18)16-8-11-7-14-4-6-19-11/h3,5,10-11,14H,4,6-9H2,1-2H3,(H,15,16)
InChIKeyCFUHFWBYCZGLGU-UHFFFAOYSA-N
XLogP0.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one (CID 115324123) is 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one is CC(C)Cn1ccnc(NCC2CNCCO2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one?
The InChIKey is CFUHFWBYCZGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)9-17-5-3-15-12(13(17)18)16-8-11-7-14-4-6-19-11/h3,5,10-11,14H,4,6-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one?
1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 115324123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).