5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

C21H30FN3O3 — CID 10200475

IUPAC5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)F)cc2OC)nc1OC
InChIInChI=1S/C21H30FN3O3/c1-8-15(9-2)24-20-21(28-7)25-19(13(4)23-20)18-16(26-5)10-14(12(3)22)11-17(18)27-6/h10-12,15H,8-9H2,1-7H3,(H,23,24)
InChIKeyRIJVBILDIFOZIL-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.11
Rot. Bonds9

About 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 10200475) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID10200475
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)F)cc2OC)nc1OC
InChIInChI=1S/C21H30FN3O3/c1-8-15(9-2)24-20-21(28-7)25-19(13(4)23-20)18-16(26-5)10-14(12(3)22)11-17(18)27-6/h10-12,15H,8-9H2,1-7H3,(H,23,24)
InChIKeyRIJVBILDIFOZIL-UHFFFAOYSA-N
XLogP5.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 10200475) is 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)F)cc2OC)nc1OC.
What is the InChIKey of 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is RIJVBILDIFOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-8-15(9-2)24-20-21(28-7)25-19(13(4)23-20)18-16(26-5)10-14(12(3)22)11-17(18)27-6/h10-12,15H,8-9H2,1-7H3,(H,23,24).
What are the key properties of 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 391.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 10200475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).