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

C10H20N6O3S — CID 80787221

IUPACN-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCNc1nc(NCCNS(C)(=O)=O)nc(OC(C)C)n1
InChIInChI=1S/C10H20N6O3S/c1-7(2)19-10-15-8(11-3)14-9(16-10)12-5-6-13-20(4,17)18/h7,13H,5-6H2,1-4H3,(H2,11,12,14,15,16)
InChIKeyBNOTWAQTZNUSAG-UHFFFAOYSA-N
MW304.38 g/mol
LogP-0.34
Rot. Bonds8

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

N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 80787221) has the molecular formula C10H20N6O3S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
PubChem CID80787221
Molecular FormulaC10H20N6O3S
Molecular Weight304.38 g/mol
Exact Mass304.13
IUPAC NameN-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
SMILESCNc1nc(NCCNS(C)(=O)=O)nc(OC(C)C)n1
InChIInChI=1S/C10H20N6O3S/c1-7(2)19-10-15-8(11-3)14-9(16-10)12-5-6-13-20(4,17)18/h7,13H,5-6H2,1-4H3,(H2,11,12,14,15,16)
InChIKeyBNOTWAQTZNUSAG-UHFFFAOYSA-N
XLogP-0.34
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
4-N-methyl-6-propan-2-yloxy-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80790857
3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106149849
2-methyl-1-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106296430
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide (CID 80787221) is N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is CNc1nc(NCCNS(C)(=O)=O)nc(OC(C)C)n1.
What is the InChIKey of N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is BNOTWAQTZNUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3S/c1-7(2)19-10-15-8(11-3)14-9(16-10)12-5-6-13-20(4,17)18/h7,13H,5-6H2,1-4H3,(H2,11,12,14,15,16).
What are the key properties of N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80787221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).