2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine

C11H16ClN3O2 — CID 107373590

IUPAC2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine
SMILESCOC1CN(c2cnc(CCl)cn2)CC1OC
InChIInChI=1S/C11H16ClN3O2/c1-16-9-6-15(7-10(9)17-2)11-5-13-8(3-12)4-14-11/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyVARKZXFLTQKYER-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.07
Rot. Bonds4

About 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine

2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine (PubChem CID 107373590) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine
PubChem CID107373590
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine
SMILESCOC1CN(c2cnc(CCl)cn2)CC1OC
InChIInChI=1S/C11H16ClN3O2/c1-16-9-6-15(7-10(9)17-2)11-5-13-8(3-12)4-14-11/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyVARKZXFLTQKYER-UHFFFAOYSA-N
XLogP1.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
4-[5-(chloromethyl)pyrazin-2-yl]-2-methylthiomorpholine
CID 107373569
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
CID 103536912
2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
CID 107373291
5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835
[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 103530760
2-[5-(chloromethyl)pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 107373295
N-[[5-(3,4-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 107380493
1-[5-(chloromethyl)pyrazin-2-yl]-2-ethylazepane
CID 107373567
5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378958

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine (CID 107373590) is 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine is COC1CN(c2cnc(CCl)cn2)CC1OC.
What is the InChIKey of 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine?
The InChIKey is VARKZXFLTQKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-9-6-15(7-10(9)17-2)11-5-13-8(3-12)4-14-11/h4-5,9-10H,3,6-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine?
2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine has a molecular weight of 257.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine is sourced from PubChem (CID 107373590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).