6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine

C13H14ClN3O — CID 66466642

IUPAC6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
SMILESClCc1cncc(N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C13H14ClN3O/c14-6-10-7-15-8-13(16-10)17(11-3-4-11)9-12-2-1-5-18-12/h1-2,5,7-8,11H,3-4,6,9H2
InChIKeyZBTHRSNSEDWAPP-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.98
Rot. Bonds5

About 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine

6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine (PubChem CID 66466642) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
PubChem CID66466642
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
SMILESClCc1cncc(N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C13H14ClN3O/c14-6-10-7-15-8-13(16-10)17(11-3-4-11)9-12-2-1-5-18-12/h1-2,5,7-8,11H,3-4,6,9H2
InChIKeyZBTHRSNSEDWAPP-UHFFFAOYSA-N
XLogP2.98
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine (CID 66466642) is 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine is ClCc1cncc(N(Cc2ccco2)C2CC2)n1.
What is the InChIKey of 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine?
The InChIKey is ZBTHRSNSEDWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-6-10-7-15-8-13(16-10)17(11-3-4-11)9-12-2-1-5-18-12/h1-2,5,7-8,11H,3-4,6,9H2.
What are the key properties of 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine?
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 66466642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).