N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C25H30FN7O2 — CID 4099794

IUPACN-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc(C)c(F)c4)nc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C25H30FN7O2/c1-18-3-4-19(17-22(18)26)27-23-28-24(30-25(29-23)33-13-15-35-16-14-33)32-11-9-31(10-12-32)20-5-7-21(34-2)8-6-20/h3-8,17H,9-16H2,1-2H3,(H,27,28,29,30)
InChIKeySWUPHWALVBHIJI-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.23
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 4099794) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID4099794
Molecular FormulaC25H30FN7O2
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(N2CCN(c3nc(Nc4ccc(C)c(F)c4)nc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C25H30FN7O2/c1-18-3-4-19(17-22(18)26)27-23-28-24(30-25(29-23)33-13-15-35-16-14-33)32-11-9-31(10-12-32)20-5-7-21(34-2)8-6-20/h3-8,17H,9-16H2,1-2H3,(H,27,28,29,30)
InChIKeySWUPHWALVBHIJI-UHFFFAOYSA-N
XLogP3.23
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 4099794) is N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(N2CCN(c3nc(Nc4ccc(C)c(F)c4)nc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is SWUPHWALVBHIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2/c1-18-3-4-19(17-22(18)26)27-23-28-24(30-25(29-23)33-13-15-35-16-14-33)32-11-9-31(10-12-32)20-5-7-21(34-2)8-6-20/h3-8,17H,9-16H2,1-2H3,(H,27,28,29,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 479.56 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 4099794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).