4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol

C15H24N4O2 — CID 124986406

IUPAC4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCNc1cncc([C@@H]2CCCN2CC2(O)CCOCC2)n1
InChIInChI=1S/C15H24N4O2/c1-16-14-10-17-9-12(18-14)13-3-2-6-19(13)11-15(20)4-7-21-8-5-15/h9-10,13,20H,2-8,11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyNYHNGUPWMBRFJY-ZDUSSCGKSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds4

About 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol

4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol (PubChem CID 124986406) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol
PubChem CID124986406
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCNc1cncc([C@@H]2CCCN2CC2(O)CCOCC2)n1
InChIInChI=1S/C15H24N4O2/c1-16-14-10-17-9-12(18-14)13-3-2-6-19(13)11-15(20)4-7-21-8-5-15/h9-10,13,20H,2-8,11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyNYHNGUPWMBRFJY-ZDUSSCGKSA-N
XLogP1.20
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 110114145
1-[4-hydroxy-4-[[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124995716
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124943790
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
1-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 124999609
6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol (CID 124986406) is 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol is CNc1cncc([C@@H]2CCCN2CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol?
The InChIKey is NYHNGUPWMBRFJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-16-14-10-17-9-12(18-14)13-3-2-6-19(13)11-15(20)4-7-21-8-5-15/h9-10,13,20H,2-8,11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol?
4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol has a molecular weight of 292.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 124986406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).