8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine

C14H13ClN4O — CID 80874590

IUPAC8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1cc(Oc2nc(N)cn3ccnc23)cc(C)c1Cl
InChIInChI=1S/C14H13ClN4O/c1-8-5-10(6-9(2)12(8)15)20-14-13-17-3-4-19(13)7-11(16)18-14/h3-7H,16H2,1-2H3
InChIKeyDIQSDZBIGYIOJT-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.37
Rot. Bonds2

About 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine

8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80874590) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80874590
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1cc(Oc2nc(N)cn3ccnc23)cc(C)c1Cl
InChIInChI=1S/C14H13ClN4O/c1-8-5-10(6-9(2)12(8)15)20-14-13-17-3-4-19(13)7-11(16)18-14/h3-7H,16H2,1-2H3
InChIKeyDIQSDZBIGYIOJT-UHFFFAOYSA-N
XLogP3.37
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 80874590) is 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine is Cc1cc(Oc2nc(N)cn3ccnc23)cc(C)c1Cl.
What is the InChIKey of 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is DIQSDZBIGYIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8-5-10(6-9(2)12(8)15)20-14-13-17-3-4-19(13)7-11(16)18-14/h3-7H,16H2,1-2H3.
What are the key properties of 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 288.74 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80874590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).