2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid

C13H20N6O4 — CID 4767395

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O4/c20-10(21)9-14-11-15-12(18-1-5-22-6-2-18)17-13(16-11)19-3-7-23-8-4-19/h1-9H2,(H,20,21)(H,14,15,16,17)
InChIKeyKYLZYTCXWADIMN-UHFFFAOYSA-N
MW324.34 g/mol
LogP-0.96
Rot. Bonds5

About 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 4767395) has the molecular formula C13H20N6O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID4767395
Molecular FormulaC13H20N6O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O4/c20-10(21)9-14-11-15-12(18-1-5-22-6-2-18)17-13(16-11)19-3-7-23-8-4-19/h1-9H2,(H,20,21)(H,14,15,16,17)
InChIKeyKYLZYTCXWADIMN-UHFFFAOYSA-N
XLogP-0.96
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid with MolForge

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Related Compounds

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
CID 4767455
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784
ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
CID 712287
propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 110178687
2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
CID 20994518
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80792732
(3S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoic acid
CID 1261101
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid (CID 4767395) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid is O=C(O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is KYLZYTCXWADIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4/c20-10(21)9-14-11-15-12(18-1-5-22-6-2-18)17-13(16-11)19-3-7-23-8-4-19/h1-9H2,(H,20,21)(H,14,15,16,17).
What are the key properties of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid?
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 324.34 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 4767395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).