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

C21H30FN3O3 — CID 70103419

IUPAC5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(CCF)cc2OC)nc1OC
InChIInChI=1S/C21H30FN3O3/c1-7-15(8-2)24-20-21(28-6)25-19(13(3)23-20)18-16(26-4)11-14(9-10-22)12-17(18)27-5/h11-12,15H,7-10H2,1-6H3,(H,23,24)
InChIKeyYQTMQAOQOIBXOT-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.59
Rot. Bonds10

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

5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 70103419) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID70103419
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(CCF)cc2OC)nc1OC
InChIInChI=1S/C21H30FN3O3/c1-7-15(8-2)24-20-21(28-6)25-19(13(3)23-20)18-16(26-4)11-14(9-10-22)12-17(18)27-5/h11-12,15H,7-10H2,1-6H3,(H,23,24)
InChIKeyYQTMQAOQOIBXOT-UHFFFAOYSA-N
XLogP4.59
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 70103419) is 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(CCF)cc2OC)nc1OC.
What is the InChIKey of 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is YQTMQAOQOIBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-7-15(8-2)24-20-21(28-6)25-19(13(3)23-20)18-16(26-4)11-14(9-10-22)12-17(18)27-5/h11-12,15H,7-10H2,1-6H3,(H,23,24).
What are the key properties of 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[4-(2-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 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 70103419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).