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

C18H23N5O2 — CID 143899780

IUPAC4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O2/c19-15-3-1-13(2-4-15)16-20-17(14-5-9-24-10-6-14)22-18(21-16)23-7-11-25-12-8-23/h1-4,14H,5-12,19H2
InChIKeyODMNQRMDMWBVJL-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.85
Rot. Bonds3

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

4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline (PubChem CID 143899780) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
PubChem CID143899780
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O2/c19-15-3-1-13(2-4-15)16-20-17(14-5-9-24-10-6-14)22-18(21-16)23-7-11-25-12-8-23/h1-4,14H,5-12,19H2
InChIKeyODMNQRMDMWBVJL-UHFFFAOYSA-N
XLogP1.85
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67021827
1-[4-[(3S)-3,4-dimethylpiperazine-1-carbonyl]phenyl]-3-[4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66585781
4-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67022040
[4-[4,6-bis(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 126734946
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
1-(4-acetylphenyl)-3-[4-[4-(3-methylmorpholin-4-yl)-6-(oxan-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 66585679
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
CID 145134799
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453

Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline (CID 143899780) is 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline is Nc1ccc(-c2nc(C3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is ODMNQRMDMWBVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-15-3-1-13(2-4-15)16-20-17(14-5-9-24-10-6-14)22-18(21-16)23-7-11-25-12-8-23/h1-4,14H,5-12,19H2.
What are the key properties of 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline?
4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 341.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 143899780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).