N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide

C10H20N6O3S — CID 106332291

IUPACN-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
SMILESCCNc1nc(NCCCNS(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C10H20N6O3S/c1-4-11-8-14-9(16-10(15-8)19-2)12-6-5-7-13-20(3,17)18/h13H,4-7H2,1-3H3,(H2,11,12,14,15,16)
InChIKeyCBDOERMQPOAXKS-UHFFFAOYSA-N
MW304.38 g/mol
LogP-0.34
Rot. Bonds9

About N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide

N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide (PubChem CID 106332291) has the molecular formula C10H20N6O3S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
PubChem CID106332291
Molecular FormulaC10H20N6O3S
Molecular Weight304.38 g/mol
Exact Mass304.13
IUPAC NameN-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
SMILESCCNc1nc(NCCCNS(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C10H20N6O3S/c1-4-11-8-14-9(16-10(15-8)19-2)12-6-5-7-13-20(3,17)18/h13H,4-7H2,1-3H3,(H2,11,12,14,15,16)
InChIKeyCBDOERMQPOAXKS-UHFFFAOYSA-N
XLogP-0.34
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
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-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide with MolForge

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Related Compounds

4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
N-[3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332346
4-N-ethyl-6-methoxy-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 80825059
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide (CID 106332291) is N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide is CCNc1nc(NCCCNS(C)(=O)=O)nc(OC)n1.
What is the InChIKey of N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide?
The InChIKey is CBDOERMQPOAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3S/c1-4-11-8-14-9(16-10(15-8)19-2)12-6-5-7-13-20(3,17)18/h13H,4-7H2,1-3H3,(H2,11,12,14,15,16).
What are the key properties of N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide?
N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of -0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).