(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone

C12H18N4O3 — CID 107377317

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-13-11-5-14-8(4-15-11)12(17)16-6-9(18-2)10(7-16)19-3/h4-5,9-10H,6-7H2,1-3H3,(H,13,15)
InChIKeyAXDPLMTXURDXNU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.00
Rot. Bonds4

About (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone

(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone (PubChem CID 107377317) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
PubChem CID107377317
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C12H18N4O3/c1-13-11-5-14-8(4-15-11)12(17)16-6-9(18-2)10(7-16)19-3/h4-5,9-10H,6-7H2,1-3H3,(H,13,15)
InChIKeyAXDPLMTXURDXNU-UHFFFAOYSA-N
XLogP0.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238348
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378752
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
(2,5-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374544
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107376366
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone (CID 107377317) is (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone is CNc1cnc(C(=O)N2CC(OC)C(OC)C2)cn1.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is AXDPLMTXURDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-11-5-14-8(4-15-11)12(17)16-6-9(18-2)10(7-16)19-3/h4-5,9-10H,6-7H2,1-3H3,(H,13,15).
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone?
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).