2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C12H18N8O — CID 80780690

IUPAC2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCn2ccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N8O/c13-10-16-11(15-2-4-19-3-1-14-9-19)18-12(17-10)20-5-7-21-8-6-20/h1,3,9H,2,4-8H2,(H3,13,15,16,17,18)
InChIKeyGZQSNCKOCGKSEU-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.40
Rot. Bonds5

About 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80780690) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80780690
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCn2ccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N8O/c13-10-16-11(15-2-4-19-3-1-14-9-19)18-12(17-10)20-5-7-21-8-6-20/h1,3,9H,2,4-8H2,(H3,13,15,16,17,18)
InChIKeyGZQSNCKOCGKSEU-UHFFFAOYSA-N
XLogP-0.40
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80814477
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311808
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-imidazol-1-yl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 60658076
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
4-morpholin-4-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767719
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80780690) is 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCCn2ccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZQSNCKOCGKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c13-10-16-11(15-2-4-19-3-1-14-9-19)18-12(17-10)20-5-7-21-8-6-20/h1,3,9H,2,4-8H2,(H3,13,15,16,17,18).
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).