N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H24N6O2 — CID 1117926

IUPACN-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H24N6O2/c1-14-3-2-4-15(13-14)19-16-20-17(23-5-9-25-10-6-23)22-18(21-16)24-7-11-26-12-8-24/h2-4,13H,5-12H2,1H3,(H,19,20,21,22)
InChIKeyZBCKEYDGKRZTDT-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds4

About N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1117926) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1117926
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H24N6O2/c1-14-3-2-4-15(13-14)19-16-20-17(23-5-9-25-10-6-23)22-18(21-16)24-7-11-26-12-8-24/h2-4,13H,5-12H2,1H3,(H,19,20,21,22)
InChIKeyZBCKEYDGKRZTDT-UHFFFAOYSA-N
XLogP1.60
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1117926) is N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is ZBCKEYDGKRZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-3-2-4-15(13-14)19-16-20-17(23-5-9-25-10-6-23)22-18(21-16)24-7-11-26-12-8-24/h2-4,13H,5-12H2,1H3,(H,19,20,21,22).
What are the key properties of N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1117926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).