5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine

C14H15F2N3O — CID 103059023

IUPAC5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H15F2N3O/c1-2-3-17-14-8-18-12(7-19-14)9-20-13-5-10(15)4-11(16)6-13/h4-8H,2-3,9H2,1H3,(H,17,19)
InChIKeyOGQRHBQHIMSGBX-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.16
Rot. Bonds6

About 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine

5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine (PubChem CID 103059023) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
PubChem CID103059023
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H15F2N3O/c1-2-3-17-14-8-18-12(7-19-14)9-20-13-5-10(15)4-11(16)6-13/h4-8H,2-3,9H2,1H3,(H,17,19)
InChIKeyOGQRHBQHIMSGBX-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 81315335
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine (CID 103059023) is 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(COc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The InChIKey is OGQRHBQHIMSGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-3-17-14-8-18-12(7-19-14)9-20-13-5-10(15)4-11(16)6-13/h4-8H,2-3,9H2,1H3,(H,17,19).
What are the key properties of 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine?
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine has a molecular weight of 279.29 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).