N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

C9H14N8O2S — CID 80787090

IUPACN-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C9H14N8O2S/c1-20(18,19)13-3-2-12-8-14-7(10)15-9(16-8)17-5-4-11-6-17/h4-6,13H,2-3H2,1H3,(H3,10,12,14,15,16)
InChIKeyHTWXLEOZAZJVON-UHFFFAOYSA-N
MW298.33 g/mol
LogP-1.40
Rot. Bonds6

About N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 80787090) has the molecular formula C9H14N8O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID80787090
Molecular FormulaC9H14N8O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC NameN-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C9H14N8O2S/c1-20(18,19)13-3-2-12-8-14-7(10)15-9(16-8)17-5-4-11-6-17/h4-6,13H,2-3H2,1H3,(H3,10,12,14,15,16)
InChIKeyHTWXLEOZAZJVON-UHFFFAOYSA-N
XLogP-1.40
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide with MolForge

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (CID 80787090) is N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is HTWXLEOZAZJVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O2S/c1-20(18,19)13-3-2-12-8-14-7(10)15-9(16-8)17-5-4-11-6-17/h4-6,13H,2-3H2,1H3,(H3,10,12,14,15,16).
What are the key properties of N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 298.33 g/mol, XLogP of -1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).