5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine

C22H31F3N4O — CID 10295937

IUPAC5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(N(C)C)cc2C(F)(F)F)c(CC)nc1NC(CC)COC
InChIInChI=1S/C22H31F3N4O/c1-7-14(13-30-6)26-21-19(9-3)27-20(18(8-2)28-21)16-11-10-15(29(4)5)12-17(16)22(23,24)25/h10-12,14H,7-9,13H2,1-6H3,(H,26,28)
InChIKeyABSWEPFNSFFIGS-UHFFFAOYSA-N
MW424.51 g/mol
LogP5.19
Rot. Bonds9

About 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine

5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine (PubChem CID 10295937) has the molecular formula C22H31F3N4O and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine
PubChem CID10295937
Molecular FormulaC22H31F3N4O
Molecular Weight424.51 g/mol
Exact Mass424.24
IUPAC Name5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(N(C)C)cc2C(F)(F)F)c(CC)nc1NC(CC)COC
InChIInChI=1S/C22H31F3N4O/c1-7-14(13-30-6)26-21-19(9-3)27-20(18(8-2)28-21)16-11-10-15(29(4)5)12-17(16)22(23,24)25/h10-12,14H,7-9,13H2,1-6H3,(H,26,28)
InChIKeyABSWEPFNSFFIGS-UHFFFAOYSA-N
XLogP5.19
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine (CID 10295937) is 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine is CCc1nc(-c2ccc(N(C)C)cc2C(F)(F)F)c(CC)nc1NC(CC)COC.
What is the InChIKey of 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine?
The InChIKey is ABSWEPFNSFFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N4O/c1-7-14(13-30-6)26-21-19(9-3)27-20(18(8-2)28-21)16-11-10-15(29(4)5)12-17(16)22(23,24)25/h10-12,14H,7-9,13H2,1-6H3,(H,26,28).
What are the key properties of 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine?
5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine has a molecular weight of 424.51 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3,6-diethyl-N-(1-methoxybutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 10295937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).