1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one

C13H22N4O3 — CID 58869636

IUPAC1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
SMILESCc1cnc(NCCN2CCOCC2)c(=O)n1CCO
InChIInChI=1S/C13H22N4O3/c1-11-10-15-12(13(19)17(11)4-7-18)14-2-3-16-5-8-20-9-6-16/h10,18H,2-9H2,1H3,(H,14,15)
InChIKeyCQALJWOERLGEKG-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.71
Rot. Bonds6

About 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one

1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one (PubChem CID 58869636) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
PubChem CID58869636
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one
SMILESCc1cnc(NCCN2CCOCC2)c(=O)n1CCO
InChIInChI=1S/C13H22N4O3/c1-11-10-15-12(13(19)17(11)4-7-18)14-2-3-16-5-8-20-9-6-16/h10,18H,2-9H2,1H3,(H,14,15)
InChIKeyCQALJWOERLGEKG-UHFFFAOYSA-N
XLogP-0.71
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one (CID 58869636) is 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one is Cc1cnc(NCCN2CCOCC2)c(=O)n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
The InChIKey is CQALJWOERLGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-11-10-15-12(13(19)17(11)4-7-18)14-2-3-16-5-8-20-9-6-16/h10,18H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one?
1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one has a molecular weight of 282.34 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-3-(2-morpholin-4-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 58869636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).