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

C20H27F2N3O3 — CID 23595034

IUPAC5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(F)F)cc2OC)nc1OC
InChIInChI=1S/C20H27F2N3O3/c1-7-13(8-2)24-19-20(28-6)25-17(11(3)23-19)16-14(26-4)9-12(18(21)22)10-15(16)27-5/h9-10,13,18H,7-8H2,1-6H3,(H,23,24)
InChIKeyIUTYJJJJGKZAHP-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.02
Rot. Bonds9

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

5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23595034) has the molecular formula C20H27F2N3O3 and a molecular weight of 395.45 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23595034
Molecular FormulaC20H27F2N3O3
Molecular Weight395.45 g/mol
Exact Mass395.20
IUPAC Name5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(F)F)cc2OC)nc1OC
InChIInChI=1S/C20H27F2N3O3/c1-7-13(8-2)24-19-20(28-6)25-17(11(3)23-19)16-14(26-4)9-12(18(21)22)10-15(16)27-5/h9-10,13,18H,7-8H2,1-6H3,(H,23,24)
InChIKeyIUTYJJJJGKZAHP-UHFFFAOYSA-N
XLogP5.02
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23595034) is 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(F)F)cc2OC)nc1OC.
What is the InChIKey of 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is IUTYJJJJGKZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O3/c1-7-13(8-2)24-19-20(28-6)25-17(11(3)23-19)16-14(26-4)9-12(18(21)22)10-15(16)27-5/h9-10,13,18H,7-8H2,1-6H3,(H,23,24).
What are the key properties of 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 395.45 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23595034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).