(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine

C13H12F3N3O2 — CID 105031257

IUPAC(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1cnc(C(N)c2c(F)cc(F)cc2F)c(OC)n1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-5-18-12(13(19-9)21-2)11(17)10-7(15)3-6(14)4-8(10)16/h3-5,11H,17H2,1-2H3
InChIKeyPSFRMKCPJXSVTB-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.96
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine

(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 105031257) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID105031257
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCOc1cnc(C(N)c2c(F)cc(F)cc2F)c(OC)n1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-5-18-12(13(19-9)21-2)11(17)10-7(15)3-6(14)4-8(10)16/h3-5,11H,17H2,1-2H3
InChIKeyPSFRMKCPJXSVTB-UHFFFAOYSA-N
XLogP1.96
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 114983788
(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520
(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333
(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
CID 107994970
(3,5-dimethoxypyrazin-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 105031196
(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 114853257
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine (CID 105031257) is (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine is COc1cnc(C(N)c2c(F)cc(F)cc2F)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is PSFRMKCPJXSVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-20-9-5-18-12(13(19-9)21-2)11(17)10-7(15)3-6(14)4-8(10)16/h3-5,11H,17H2,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine?
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 299.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 105031257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).