[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

C17H27N3O2 — CID 119046885

IUPAC[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC2(CO)CC(C)C)nc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3
InChIKeyHJGHCQLCUCKCGD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.42
Rot. Bonds4

About [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (PubChem CID 119046885) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
PubChem CID119046885
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC2(CO)CC(C)C)nc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3
InChIKeyHJGHCQLCUCKCGD-UHFFFAOYSA-N
XLogP2.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 128988436
(3,6-Ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 162501235
(3-Tert-butyl-5-methyl-6-propan-2-ylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 166900964
[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 124730313
[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 124730314

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (CID 119046885) is [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC2(CO)CC(C)C)nc1C.
What is the InChIKey of [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The InChIKey is HJGHCQLCUCKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3.
What are the key properties of [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
[2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is sourced from PubChem (CID 119046885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).