[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone

C13H20N4O3 — CID 107377022

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCOCC2CO)cn1
InChIInChI=1S/C13H20N4O3/c1-2-3-14-12-7-15-11(6-16-12)13(19)17-4-5-20-9-10(17)8-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16)
InChIKeySRJUNOFBMJASRC-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.13
Rot. Bonds5

About [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone

[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107377022) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107377022
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCOCC2CO)cn1
InChIInChI=1S/C13H20N4O3/c1-2-3-14-12-7-15-11(6-16-12)13(19)17-4-5-20-9-10(17)8-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16)
InChIKeySRJUNOFBMJASRC-UHFFFAOYSA-N
XLogP0.13
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloropyrazin-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107372202
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
[6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-3-pyridinyl]carbamic acid
CID 175372414
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone (CID 107377022) is [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2CCOCC2CO)cn1.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is SRJUNOFBMJASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-14-12-7-15-11(6-16-12)13(19)17-4-5-20-9-10(17)8-18/h6-7,10,18H,2-5,8-9H2,1H3,(H,14,16).
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
[3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 280.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107377022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).