6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine

C25H30FN3 — CID 139439358

IUPAC6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine
SMILESCCCc1ccc(CCc2c(C3CCC3)ccc(C3=CN=C(N)CN3)c2F)cc1
InChIInChI=1S/C25H30FN3/c1-2-4-17-7-9-18(10-8-17)11-12-21-20(19-5-3-6-19)13-14-22(25(21)26)23-15-29-24(27)16-28-23/h7-10,13-15,19,28H,2-6,11-12,16H2,1H3,(H2,27,29)
InChIKeyIIQSUFAFMZVDMV-UHFFFAOYSA-N
MW391.53 g/mol
LogP5.09
Rot. Bonds7

About 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine

6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine (PubChem CID 139439358) has the molecular formula C25H30FN3 and a molecular weight of 391.53 g/mol. Its IUPAC name is 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine.

Molecular Properties

Compound Name6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine
PubChem CID139439358
Molecular FormulaC25H30FN3
Molecular Weight391.53 g/mol
Exact Mass391.24
IUPAC Name6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine
SMILESCCCc1ccc(CCc2c(C3CCC3)ccc(C3=CN=C(N)CN3)c2F)cc1
InChIInChI=1S/C25H30FN3/c1-2-4-17-7-9-18(10-8-17)11-12-21-20(19-5-3-6-19)13-14-22(25(21)26)23-15-29-24(27)16-28-23/h7-10,13-15,19,28H,2-6,11-12,16H2,1H3,(H2,27,29)
InChIKeyIIQSUFAFMZVDMV-UHFFFAOYSA-N
XLogP5.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 44419877
CID 44419877
CID 44419894
CID 44419894
(4R,5S)-2-[2-[3,4-bis(trifluoromethyl)phenyl]ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 87499585
2-[2-[3,4-bis(trifluoromethyl)phenyl]ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 87499586
(3Z)-3-[amino-[2-fluoro-4-[(2-methylphenyl)methyl]phenyl]methylidene]-4-(1-cyclobutylethenyl)pyrazin-2-amine
CID 89131931
2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 90224750
(2R)-N-(1-cyclobutylethyl)-2-[[2-(3-methylphenyl)-4-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-amine
CID 90237987
(2R)-N-(1-cyclobutylethyl)-2-[[2-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-3-amine
CID 90238141
6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine
CID 90781027
(4S,5R)-2-[2-[3,4-bis(trifluoromethyl)phenyl]ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 91871032
2-methylidene-N-[1-[2-[(4-propylphenyl)methyl]-5-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-4-amine
CID 126636403
(1Z,3E)-1-N-methyl-3-N-[1-[5-(trifluoromethyl)-2-[(2,3,4-trifluorophenyl)methyl]phenyl]ethenyl]hexa-1,3,5-triene-1,3-diamine
CID 126636607

Frequently Asked Questions

What is the IUPAC name of 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine?
The IUPAC name of 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine (CID 139439358) is 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine.
What is the SMILES notation for 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine?
The canonical SMILES for 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine is CCCc1ccc(CCc2c(C3CCC3)ccc(C3=CN=C(N)CN3)c2F)cc1.
What is the InChIKey of 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine?
The InChIKey is IIQSUFAFMZVDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3/c1-2-4-17-7-9-18(10-8-17)11-12-21-20(19-5-3-6-19)13-14-22(25(21)26)23-15-29-24(27)16-28-23/h7-10,13-15,19,28H,2-6,11-12,16H2,1H3,(H2,27,29).
What are the key properties of 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine?
6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine has a molecular weight of 391.53 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-cyclobutyl-2-fluoro-3-[2-(4-propylphenyl)ethyl]phenyl]-1,2-dihydropyrazin-3-amine is sourced from PubChem (CID 139439358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).