(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C11H16N4O3 — CID 107376367

IUPAC(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cnc(N)cn1
InChIInChI=1S/C11H16N4O3/c1-7-6-18-8(5-16)4-15(7)11(17)9-2-14-10(12)3-13-9/h2-3,7-8,16H,4-6H2,1H3,(H2,12,14)
InChIKeyOTTRKQZRUIPPNL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.72
Rot. Bonds2

About (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 107376367) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID107376367
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cnc(N)cn1
InChIInChI=1S/C11H16N4O3/c1-7-6-18-8(5-16)4-15(7)11(17)9-2-14-10(12)3-13-9/h2-3,7-8,16H,4-6H2,1H3,(H2,12,14)
InChIKeyOTTRKQZRUIPPNL-UHFFFAOYSA-N
XLogP-0.72
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 107376367) is (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cnc(N)cn1.
What is the InChIKey of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is OTTRKQZRUIPPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-6-18-8(5-16)4-15(7)11(17)9-2-14-10(12)3-13-9/h2-3,7-8,16H,4-6H2,1H3,(H2,12,14).
What are the key properties of (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 252.27 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 107376367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).