N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine

C12H18ClN3O — CID 102637792

IUPACN-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
SMILESCOc1cncc(N(C)C2CCCCC2Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-16(10-6-4-3-5-9(10)13)11-7-14-8-12(15-11)17-2/h7-10H,3-6H2,1-2H3
InChIKeyFQEWWNQEBYPJCV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.47
Rot. Bonds3

About N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine

N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine (PubChem CID 102637792) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
PubChem CID102637792
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
SMILESCOc1cncc(N(C)C2CCCCC2Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-16(10-6-4-3-5-9(10)13)11-7-14-8-12(15-11)17-2/h7-10H,3-6H2,1-2H3
InChIKeyFQEWWNQEBYPJCV-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.47
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 N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine (CID 102637792) is N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine is COc1cncc(N(C)C2CCCCC2Cl)n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine?
The InChIKey is FQEWWNQEBYPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16(10-6-4-3-5-9(10)13)11-7-14-8-12(15-11)17-2/h7-10H,3-6H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine?
N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine is sourced from PubChem (CID 102637792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).