(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

C13H20N4O2 — CID 119163703

IUPAC(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2nccnc2N)C1
InChIInChI=1S/C13H20N4O2/c1-9(2)8-19-10-3-6-17(7-10)13(18)11-12(14)16-5-4-15-11/h4-5,9-10H,3,6-8H2,1-2H3,(H2,14,16)
InChIKeyWMYMAVGRHIDKKW-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.95
Rot. Bonds4

About (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (PubChem CID 119163703) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
PubChem CID119163703
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2nccnc2N)C1
InChIInChI=1S/C13H20N4O2/c1-9(2)8-19-10-3-6-17(7-10)13(18)11-12(14)16-5-4-15-11/h4-5,9-10H,3,6-8H2,1-2H3,(H2,14,16)
InChIKeyWMYMAVGRHIDKKW-UHFFFAOYSA-N
XLogP0.95
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
2-[4-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 119163704
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129475897
(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024444
(3-aminopyrazin-2-yl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119133482
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 136514652
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119821786
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2685715
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 120624806

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (CID 119163703) is (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is CC(C)COC1CCN(C(=O)c2nccnc2N)C1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The InChIKey is WMYMAVGRHIDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)8-19-10-3-6-17(7-10)13(18)11-12(14)16-5-4-15-11/h4-5,9-10H,3,6-8H2,1-2H3,(H2,14,16).
What are the key properties of (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).