6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine

C19H25F2N3O3 — CID 10249269

IUPAC6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(C)c(-c2ccc(OC(F)F)cc2OC)nc1NC
InChIInChI=1S/C19H25F2N3O3/c1-6-12(7-2)26-18-17(22-4)24-16(11(3)23-18)14-9-8-13(27-19(20)21)10-15(14)25-5/h8-10,12,19H,6-7H2,1-5H3,(H,22,24)
InChIKeyIWRMFEVIMUXNGZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.67
Rot. Bonds9

About 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine

6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine (PubChem CID 10249269) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
PubChem CID10249269
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC Name6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine
SMILESCCC(CC)Oc1nc(C)c(-c2ccc(OC(F)F)cc2OC)nc1NC
InChIInChI=1S/C19H25F2N3O3/c1-6-12(7-2)26-18-17(22-4)24-16(11(3)23-18)14-9-8-13(27-19(20)21)10-15(14)25-5/h8-10,12,19H,6-7H2,1-5H3,(H,22,24)
InChIKeyIWRMFEVIMUXNGZ-UHFFFAOYSA-N
XLogP4.67
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The IUPAC name of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine (CID 10249269) is 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine.
What is the SMILES notation for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The canonical SMILES for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine is CCC(CC)Oc1nc(C)c(-c2ccc(OC(F)F)cc2OC)nc1NC.
What is the InChIKey of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
The InChIKey is IWRMFEVIMUXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-6-12(7-2)26-18-17(22-4)24-16(11(3)23-18)14-9-8-13(27-19(20)21)10-15(14)25-5/h8-10,12,19H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine?
6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine has a molecular weight of 381.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-2-methoxyphenyl]-N,5-dimethyl-3-pentan-3-yloxypyrazin-2-amine is sourced from PubChem (CID 10249269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).