6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine

C8H12ClN3O — CID 129104092

IUPAC6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine
SMILESCOCCNc1nc(Cl)cnc1C
InChIInChI=1S/C8H12ClN3O/c1-6-8(10-3-4-13-2)12-7(9)5-11-6/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyDCRFVYQCFAQNFD-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.50
Rot. Bonds4

About 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine

6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine (PubChem CID 129104092) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine
PubChem CID129104092
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine
SMILESCOCCNc1nc(Cl)cnc1C
InChIInChI=1S/C8H12ClN3O/c1-6-8(10-3-4-13-2)12-7(9)5-11-6/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyDCRFVYQCFAQNFD-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine (CID 129104092) is 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine is COCCNc1nc(Cl)cnc1C.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine?
The InChIKey is DCRFVYQCFAQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6-8(10-3-4-13-2)12-7(9)5-11-6/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine?
6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine has a molecular weight of 201.66 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 129104092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).