1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

C13H18N8O4 — CID 46786161

IUPAC1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(Cc2nc(N)nc(N3CCOCC3)n2)c1=O
InChIInChI=1S/C13H18N8O4/c1-18-11(22)19(2)13(24)21(12(18)23)7-8-15-9(14)17-10(16-8)20-3-5-25-6-4-20/h3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMDXYIPEUZTELF-UHFFFAOYSA-N
MW350.34 g/mol
LogP-3.10
Rot. Bonds3

About 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 46786161) has the molecular formula C13H18N8O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID46786161
Molecular FormulaC13H18N8O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Name1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(Cc2nc(N)nc(N3CCOCC3)n2)c1=O
InChIInChI=1S/C13H18N8O4/c1-18-11(22)19(2)13(24)21(12(18)23)7-8-15-9(14)17-10(16-8)20-3-5-25-6-4-20/h3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMDXYIPEUZTELF-UHFFFAOYSA-N
XLogP-3.10
TPSA143.16 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 5-3.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione with MolForge

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Launch Full Analysis

Related Compounds

8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
CID 4999473
8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methoxy]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 1272752
4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80750111
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80832674
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (CID 46786161) is 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C)c(=O)n(Cc2nc(N)nc(N3CCOCC3)n2)c1=O.
What is the InChIKey of 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is PMDXYIPEUZTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O4/c1-18-11(22)19(2)13(24)21(12(18)23)7-8-15-9(14)17-10(16-8)20-3-5-25-6-4-20/h3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 350.34 g/mol, XLogP of -3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 46786161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).