4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline

C20H26N6O3 — CID 67021827

IUPAC4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H26N6O3/c21-16-3-1-15(2-4-16)17-22-18(24-19(23-17)26-9-11-27-12-10-26)25-7-5-20(6-8-25)28-13-14-29-20/h1-4H,5-14,21H2
InChIKeyFWEKJUIGYLMYMD-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.30
Rot. Bonds3

About 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline

4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline (PubChem CID 67021827) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
PubChem CID67021827
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H26N6O3/c21-16-3-1-15(2-4-16)17-22-18(24-19(23-17)26-9-11-27-12-10-26)25-7-5-20(6-8-25)28-13-14-29-20/h1-4H,5-14,21H2
InChIKeyFWEKJUIGYLMYMD-UHFFFAOYSA-N
XLogP1.30
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
CID 143899780
1-[2-(dimethylamino)ethyl]-3-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 44515081
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
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
8-[5-(4-chlorophenyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3594725
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 53488104
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
2-[[4-(4-aminophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-(4-methylsulfonylpiperazin-1-yl)acetaldehyde
CID 123222432

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 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) is 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline is Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
The InChIKey is FWEKJUIGYLMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c21-16-3-1-15(2-4-16)17-22-18(24-19(23-17)26-9-11-27-12-10-26)25-7-5-20(6-8-25)28-13-14-29-20/h1-4H,5-14,21H2.
What are the key properties of 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline?
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline has a molecular weight of 398.47 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 67021827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).