N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine

C13H13F2N3 — CID 65417983

IUPACN-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-6-16-9(2)13(18-8)17-7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyNCIPOWQMXLRHHA-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.98
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine

N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 65417983) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
PubChem CID65417983
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cc(F)ccc2F)n1
InChIInChI=1S/C13H13F2N3/c1-8-6-16-9(2)13(18-8)17-7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyNCIPOWQMXLRHHA-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine (CID 65417983) is N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NCc2cc(F)ccc2F)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is NCIPOWQMXLRHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-6-16-9(2)13(18-8)17-7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine?
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 65417983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).