(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine

C13H19F2N3O2 — CID 105178307

IUPAC(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
SMILESCOc1cnc(C(N)C2CCC(F)(F)CC2)c(OC)n1
InChIInChI=1S/C13H19F2N3O2/c1-19-9-7-17-11(12(18-9)20-2)10(16)8-3-5-13(14,15)6-4-8/h7-8,10H,3-6,16H2,1-2H3
InChIKeyWVEZKMMRMLCQET-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.32
Rot. Bonds4

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

(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine (PubChem CID 105178307) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
PubChem CID105178307
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
SMILESCOc1cnc(C(N)C2CCC(F)(F)CC2)c(OC)n1
InChIInChI=1S/C13H19F2N3O2/c1-19-9-7-17-11(12(18-9)20-2)10(16)8-3-5-13(14,15)6-4-8/h7-8,10H,3-6,16H2,1-2H3
InChIKeyWVEZKMMRMLCQET-UHFFFAOYSA-N
XLogP2.32
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine (CID 105178307) is (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine is COc1cnc(C(N)C2CCC(F)(F)CC2)c(OC)n1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The InChIKey is WVEZKMMRMLCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-19-9-7-17-11(12(18-9)20-2)10(16)8-3-5-13(14,15)6-4-8/h7-8,10H,3-6,16H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
(4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine has a molecular weight of 287.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,5-dimethoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 105178307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).