4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline

C18H24N6O2 — CID 67021908

IUPAC4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
SMILESC[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2/c1-13-12-26-11-8-24(13)18-21-16(14-2-4-15(19)5-3-14)20-17(22-18)23-6-9-25-10-7-23/h2-5,13H,6-12,19H2,1H3/t13-/m0/s1
InChIKeyGGMPVXBGLGRMJV-ZDUSSCGKSA-N
MW356.43 g/mol
LogP1.18
Rot. Bonds3

About 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline

4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline (PubChem CID 67021908) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
PubChem CID67021908
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
SMILESC[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2/c1-13-12-26-11-8-24(13)18-21-16(14-2-4-15(19)5-3-14)20-17(22-18)23-6-9-25-10-7-23/h2-5,13H,6-12,19H2,1H3/t13-/m0/s1
InChIKeyGGMPVXBGLGRMJV-ZDUSSCGKSA-N
XLogP1.18
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline (CID 67021908) is 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline is C[C@H]1COCCN1c1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The InChIKey is GGMPVXBGLGRMJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-12-26-11-8-24(13)18-21-16(14-2-4-15(19)5-3-14)20-17(22-18)23-6-9-25-10-7-23/h2-5,13H,6-12,19H2,1H3/t13-/m0/s1.
What are the key properties of 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline has a molecular weight of 356.43 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 67021908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).