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

C22H32FN3O3 — CID 58804444

IUPAC5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)(C)F)cc2OC)nc1OC
InChIInChI=1S/C22H32FN3O3/c1-9-15(10-2)25-20-21(29-8)26-19(13(3)24-20)18-16(27-6)11-14(22(4,5)23)12-17(18)28-7/h11-12,15H,9-10H2,1-8H3,(H,24,25)
InChIKeyYFUKOATWLGPMFL-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.28
Rot. Bonds9

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

5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804444) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID58804444
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)(C)F)cc2OC)nc1OC
InChIInChI=1S/C22H32FN3O3/c1-9-15(10-2)25-20-21(29-8)26-19(13(3)24-20)18-16(27-6)11-14(22(4,5)23)12-17(18)28-7/h11-12,15H,9-10H2,1-8H3,(H,24,25)
InChIKeyYFUKOATWLGPMFL-UHFFFAOYSA-N
XLogP5.28
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 58804444) is 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)c(-c2c(OC)cc(C(C)(C)F)cc2OC)nc1OC.
What is the InChIKey of 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is YFUKOATWLGPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-9-15(10-2)25-20-21(29-8)26-19(13(3)24-20)18-16(27-6)11-14(22(4,5)23)12-17(18)28-7/h11-12,15H,9-10H2,1-8H3,(H,24,25).
What are the key properties of 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 405.51 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoropropan-2-yl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).