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

C9H17N5OS — CID 80890214

IUPAC3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCNc1nc(SCCCO)nc(N(C)C)n1
InChIInChI=1S/C9H17N5OS/c1-10-7-11-8(14(2)3)13-9(12-7)16-6-4-5-15/h15H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyGRAGLLFANRTYKA-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.45
Rot. Bonds6

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

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (PubChem CID 80890214) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
PubChem CID80890214
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
SMILESCNc1nc(SCCCO)nc(N(C)C)n1
InChIInChI=1S/C9H17N5OS/c1-10-7-11-8(14(2)3)13-9(12-7)16-6-4-5-15/h15H,4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyGRAGLLFANRTYKA-UHFFFAOYSA-N
XLogP0.45
TPSA74.17 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890395
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638
2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80886555
2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311620
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667746
2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 104604969
2-[cyclopropyl-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80810265
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841297

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol (CID 80890214) is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is CNc1nc(SCCCO)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
The InChIKey is GRAGLLFANRTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-10-7-11-8(14(2)3)13-9(12-7)16-6-4-5-15/h15H,4-6H2,1-3H3,(H,10,11,12,13).
What are the key properties of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol?
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol has a molecular weight of 243.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 80890214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).