6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine

C9H17N5O3S — CID 80812342

IUPAC6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O3S/c1-3-17-9-13-7(10)12-8(14-9)11-5-4-6-18(2,15)16/h3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyGRWMPRWRTOZMNM-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.30
Rot. Bonds7

About 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80812342) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80812342
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O3S/c1-3-17-9-13-7(10)12-8(14-9)11-5-4-6-18(2,15)16/h3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyGRWMPRWRTOZMNM-UHFFFAOYSA-N
XLogP-0.30
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (CID 80812342) is 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GRWMPRWRTOZMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-3-17-9-13-7(10)12-8(14-9)11-5-4-6-18(2,15)16/h3-6H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80812342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).