3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine

C14H15F2N3 — CID 107514569

IUPAC3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C14H15F2N3/c1-3-6-18-14-13(17-7-8-19-14)10-5-4-9(2)11(15)12(10)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyULOJIIRDFRIQDH-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.55
Rot. Bonds4

About 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine

3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine (PubChem CID 107514569) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
PubChem CID107514569
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C14H15F2N3/c1-3-6-18-14-13(17-7-8-19-14)10-5-4-9(2)11(15)12(10)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeyULOJIIRDFRIQDH-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylphenyl)-N-propylpyrazin-2-amine
CID 112559353
3,4-dimethyl-N-propylpyridin-2-amine
CID 123894121
2-chloro-3-(2,3-difluoro-4-methylphenyl)pyrazine
CID 107514509
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
3-(4-methoxy-3-methylphenyl)-N-propylpyrazin-2-amine
CID 112559373
3-(2,3-difluoro-4-methylphenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 107514615
3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine
CID 115914364
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
6-(2,3-difluoro-4-methylphenyl)-N-propylpyridin-2-amine
CID 107514567
3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
CID 106681436
3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
CID 81230913
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine (CID 107514569) is 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1ccc(C)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine?
The InChIKey is ULOJIIRDFRIQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-3-6-18-14-13(17-7-8-19-14)10-5-4-9(2)11(15)12(10)16/h4-5,7-8H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine?
3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine has a molecular weight of 263.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 107514569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).