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

C9H17N5OS — CID 165362571

IUPAC2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NC(C)CO)nc(SC)n1
InChIInChI=1S/C9H17N5OS/c1-4-10-7-12-8(11-6(2)5-15)14-9(13-7)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyRGQYWYNUWYQFOQ-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.82
Rot. Bonds6

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

2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 165362571) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID165362571
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NC(C)CO)nc(SC)n1
InChIInChI=1S/C9H17N5OS/c1-4-10-7-12-8(11-6(2)5-15)14-9(13-7)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyRGQYWYNUWYQFOQ-UHFFFAOYSA-N
XLogP0.82
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 165362571) is 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol is CCNc1nc(NC(C)CO)nc(SC)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is RGQYWYNUWYQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-4-10-7-12-8(11-6(2)5-15)14-9(13-7)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 243.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 165362571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).