N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine

C13H14ClN3O — CID 65027901

IUPACN-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(Nc2ccc(CCCl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-18-13-9-15-8-12(17-13)16-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyMTZHLRLFMVPIDV-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine

N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine (PubChem CID 65027901) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine
PubChem CID65027901
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(Nc2ccc(CCCl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-18-13-9-15-8-12(17-13)16-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyMTZHLRLFMVPIDV-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine (CID 65027901) is N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine is COc1cncc(Nc2ccc(CCCl)cc2)n1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine?
The InChIKey is MTZHLRLFMVPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-9-15-8-12(17-13)16-11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine?
N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-6-methoxypyrazin-2-amine is sourced from PubChem (CID 65027901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).