4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine

C21H24N4O3 — CID 142845617

IUPAC4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(C2=NC(c3ccc(OC)cc3)N=C(N3CCOCC3)N2)cc1
InChIInChI=1S/C21H24N4O3/c1-26-17-7-3-15(4-8-17)19-22-20(16-5-9-18(27-2)10-6-16)24-21(23-19)25-11-13-28-14-12-25/h3-10,19H,11-14H2,1-2H3,(H,22,23,24)
InChIKeyKJUKEDQNJCWEBQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.44
Rot. Bonds4

About 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine

4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine (PubChem CID 142845617) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine
PubChem CID142845617
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine
SMILESCOc1ccc(C2=NC(c3ccc(OC)cc3)N=C(N3CCOCC3)N2)cc1
InChIInChI=1S/C21H24N4O3/c1-26-17-7-3-15(4-8-17)19-22-20(16-5-9-18(27-2)10-6-16)24-21(23-19)25-11-13-28-14-12-25/h3-10,19H,11-14H2,1-2H3,(H,22,23,24)
InChIKeyKJUKEDQNJCWEBQ-UHFFFAOYSA-N
XLogP2.44
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

T-2307 free base
CID 9803135
1,3-Di(4-imidazolinophenoxyl)propane
CID 122669
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2-[4-[(Z)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]but-2-enoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 6473903
2-[4-[(E)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]but-2-enoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 6473906
2,2'-[pentane-1,5-Diylbis(Oxybenzene-4,1-Diyl)]di-1,4,5,6-Tetrahydropyrimidine
CID 89496009
2-(4-Methoxy-phenyl)-4,6-diphenyl-1,2-dihydro-[1,3,5]triazine
CID 699668
1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine
CID 46880385
4-[2-[2-(4-Carbamimidoylphenoxy)ethyl-ethylamino]ethoxy]benzenecarboximidamide;trihydrochloride
CID 145992643
2,2'-(1,4-Butanediylbis(oxy-4,1-phenylene))bis(4,5-dihydro-1H-imidazole)
CID 148116
1H-Imidazole, 2,2'-(1,5-pentanediylbis(oxy-4,1-phenylene))bis(4,5-dihydro-
CID 149831
4-[2-[2-(4-Carbamimidoylphenoxy)ethyl-methylamino]ethoxy]benzenecarboximidamide;dihydrochloride
CID 57327967

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine (CID 142845617) is 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine is COc1ccc(C2=NC(c3ccc(OC)cc3)N=C(N3CCOCC3)N2)cc1.
What is the InChIKey of 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine?
The InChIKey is KJUKEDQNJCWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-17-7-3-15(4-8-17)19-22-20(16-5-9-18(27-2)10-6-16)24-21(23-19)25-11-13-28-14-12-25/h3-10,19H,11-14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine has a molecular weight of 380.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-methoxyphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 142845617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).