6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine

C10H16ClN3O — CID 82960163

IUPAC6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
SMILESCOCCN(c1cncc(Cl)n1)C(C)C
InChIInChI=1S/C10H16ClN3O/c1-8(2)14(4-5-15-3)10-7-12-6-9(11)13-10/h6-8H,4-5H2,1-3H3
InChIKeyOMCOXYSIRUMNQA-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.99
Rot. Bonds5

About 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine

6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine (PubChem CID 82960163) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
PubChem CID82960163
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
SMILESCOCCN(c1cncc(Cl)n1)C(C)C
InChIInChI=1S/C10H16ClN3O/c1-8(2)14(4-5-15-3)10-7-12-6-9(11)13-10/h6-8H,4-5H2,1-3H3
InChIKeyOMCOXYSIRUMNQA-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine (CID 82960163) is 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine is COCCN(c1cncc(Cl)n1)C(C)C.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine?
The InChIKey is OMCOXYSIRUMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8(2)14(4-5-15-3)10-7-12-6-9(11)13-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine?
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 82960163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).