(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone

C12H18N4O — CID 114035914

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)N2CCCC2(C)C)n1
InChIInChI=1S/C12H18N4O/c1-12(2)5-4-6-16(12)11(17)9-7-14-8-10(13-3)15-9/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyFKLNTUYJLGWUKN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.53
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone (PubChem CID 114035914) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
PubChem CID114035914
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)N2CCCC2(C)C)n1
InChIInChI=1S/C12H18N4O/c1-12(2)5-4-6-16(12)11(17)9-7-14-8-10(13-3)15-9/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyFKLNTUYJLGWUKN-UHFFFAOYSA-N
XLogP1.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035906
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
1-(6-chloropyrazine-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114035196
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66379843
6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid
CID 131052387
N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide
CID 114035750
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
(2,2-dimethylpyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 86768279
N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide
CID 114036115

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone (CID 114035914) is (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone is CNc1cncc(C(=O)N2CCCC2(C)C)n1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is FKLNTUYJLGWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2)5-4-6-16(12)11(17)9-7-14-8-10(13-3)15-9/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 114035914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).