N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine

C11H18ClN3O2 — CID 65027123

IUPACN-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
SMILESCOCC(Cl)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C11H18ClN3O2/c1-8(2)17-11-6-13-5-10(15-11)14-4-9(12)7-16-3/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)
InChIKeyQMXHTRJILNLQIF-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.93
Rot. Bonds7

About N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine

N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine (PubChem CID 65027123) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
PubChem CID65027123
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC NameN-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
SMILESCOCC(Cl)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C11H18ClN3O2/c1-8(2)17-11-6-13-5-10(15-11)14-4-9(12)7-16-3/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)
InChIKeyQMXHTRJILNLQIF-UHFFFAOYSA-N
XLogP1.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine (CID 65027123) is N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine is COCC(Cl)CNc1cncc(OC(C)C)n1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is QMXHTRJILNLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-8(2)17-11-6-13-5-10(15-11)14-4-9(12)7-16-3/h5-6,8-9H,4,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine?
N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 259.74 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 65027123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).