3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine

C17H22FN3 — CID 106882788

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
SMILESCCCNc1nc(C)c(C)nc1-c1c(C)cc(C)cc1F
InChIInChI=1S/C17H22FN3/c1-6-7-19-17-16(20-12(4)13(5)21-17)15-11(3)8-10(2)9-14(15)18/h8-9H,6-7H2,1-5H3,(H,19,21)
InChIKeyRERORZTVQKJINU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.34
Rot. Bonds4

About 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine

3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine (PubChem CID 106882788) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
PubChem CID106882788
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
SMILESCCCNc1nc(C)c(C)nc1-c1c(C)cc(C)cc1F
InChIInChI=1S/C17H22FN3/c1-6-7-19-17-16(20-12(4)13(5)21-17)15-11(3)8-10(2)9-14(15)18/h8-9H,6-7H2,1-5H3,(H,19,21)
InChIKeyRERORZTVQKJINU-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine (CID 106882788) is 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine is CCCNc1nc(C)c(C)nc1-c1c(C)cc(C)cc1F.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The InChIKey is RERORZTVQKJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-6-7-19-17-16(20-12(4)13(5)21-17)15-11(3)8-10(2)9-14(15)18/h8-9H,6-7H2,1-5H3,(H,19,21).
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine is sourced from PubChem (CID 106882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).