3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol

C9H17N5OS — CID 66114761

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
SMILESCN(C)c1nc(N)nc(CSCCCO)n1
InChIInChI=1S/C9H17N5OS/c1-14(2)9-12-7(11-8(10)13-9)6-16-5-3-4-15/h15H,3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFATYMEPXKUQYBF-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.14
Rot. Bonds6

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol (PubChem CID 66114761) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
PubChem CID66114761
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
SMILESCN(C)c1nc(N)nc(CSCCCO)n1
InChIInChI=1S/C9H17N5OS/c1-14(2)9-12-7(11-8(10)13-9)6-16-5-3-4-15/h15H,3-6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFATYMEPXKUQYBF-UHFFFAOYSA-N
XLogP0.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol with MolForge

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Related Compounds

2-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]thiomorpholin-3-yl]ethanol
CID 72100703
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethylsulfanyl]propan-1-ol
CID 140274924
2-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethylsulfanyl]ethanol
CID 140274934
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propanoic acid
CID 43352536
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol
CID 43419441
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol
CID 43419443
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol
CID 65419014
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 65820691
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66103148
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methylsulfanyl]propan-1-ol
CID 66115863
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methylsulfanyl]butan-1-ol
CID 66138828
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propane-1,2-diol
CID 79681880

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol (CID 66114761) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol is CN(C)c1nc(N)nc(CSCCCO)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol?
The InChIKey is FATYMEPXKUQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-14(2)9-12-7(11-8(10)13-9)6-16-5-3-4-15/h15H,3-6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol has a molecular weight of 243.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66114761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).