(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C19H31N3O2 — CID 162501235

IUPAC(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)(C)C)c(C(=O)N2CCCC2CO)nc1C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-12-15(18(2,3)4)21-14(16(20-12)19(5,6)7)17(24)22-10-8-9-13(22)11-23/h13,23H,8-11H2,1-7H3
InChIKeyARKSWLYTPSOXOR-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.98
Rot. Bonds2

About (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 162501235) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID162501235
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C(C)(C)C)c(C(=O)N2CCCC2CO)nc1C(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-12-15(18(2,3)4)21-14(16(20-12)19(5,6)7)17(24)22-10-8-9-13(22)11-23/h13,23H,8-11H2,1-7H3
InChIKeyARKSWLYTPSOXOR-UHFFFAOYSA-N
XLogP2.98
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 162501235) is (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1nc(C(C)(C)C)c(C(=O)N2CCCC2CO)nc1C(C)(C)C.
What is the InChIKey of (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ARKSWLYTPSOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-12-15(18(2,3)4)21-14(16(20-12)19(5,6)7)17(24)22-10-8-9-13(22)11-23/h13,23H,8-11H2,1-7H3.
What are the key properties of (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-ditert-butyl-5-methylpyrazin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 162501235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).