[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone

C11H16N4O2 — CID 107375092

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCC2CO)cn1
InChIInChI=1S/C11H16N4O2/c1-12-10-6-13-9(5-14-10)11(17)15-4-2-3-8(15)7-16/h5-6,8,16H,2-4,7H2,1H3,(H,12,14)
InChIKeyUKBZGUIOCXONHA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.12
Rot. Bonds3

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone (PubChem CID 107375092) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
PubChem CID107375092
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCC2CO)cn1
InChIInChI=1S/C11H16N4O2/c1-12-10-6-13-9(5-14-10)11(17)15-4-2-3-8(15)7-16/h5-6,8,16H,2-4,7H2,1H3,(H,12,14)
InChIKeyUKBZGUIOCXONHA-UHFFFAOYSA-N
XLogP0.12
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 107375180
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107376366
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
(5-chloropyrazin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107257609
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone (CID 107375092) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone is CNc1cnc(C(=O)N2CCCC2CO)cn1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is UKBZGUIOCXONHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-10-6-13-9(5-14-10)11(17)15-4-2-3-8(15)7-16/h5-6,8,16H,2-4,7H2,1H3,(H,12,14).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).