N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine

C10H16ClN3O — CID 114477459

IUPACN-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine
SMILESCOCC(Cl)CNc1cnc(C)c(C)n1
InChIInChI=1S/C10H16ClN3O/c1-7-8(2)14-10(5-12-7)13-4-9(11)6-15-3/h5,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyDYPVQLJVQDQNBF-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.76
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine

N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine (PubChem CID 114477459) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine
PubChem CID114477459
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine
SMILESCOCC(Cl)CNc1cnc(C)c(C)n1
InChIInChI=1S/C10H16ClN3O/c1-7-8(2)14-10(5-12-7)13-4-9(11)6-15-3/h5,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyDYPVQLJVQDQNBF-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine (CID 114477459) is N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine is COCC(Cl)CNc1cnc(C)c(C)n1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is DYPVQLJVQDQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7-8(2)14-10(5-12-7)13-4-9(11)6-15-3/h5,9H,4,6H2,1-3H3,(H,13,14).
What are the key properties of N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine?
N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114477459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).