4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol

C8H14N4OS — CID 83084599

IUPAC4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol
SMILESCSc1nc(N)nc(CCC(C)O)n1
InChIInChI=1S/C8H14N4OS/c1-5(13)3-4-6-10-7(9)12-8(11-6)14-2/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyKMLFNFXZJARQNT-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.49
Rot. Bonds4

About 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol

4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol (PubChem CID 83084599) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol
PubChem CID83084599
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol
SMILESCSc1nc(N)nc(CCC(C)O)n1
InChIInChI=1S/C8H14N4OS/c1-5(13)3-4-6-10-7(9)12-8(11-6)14-2/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyKMLFNFXZJARQNT-UHFFFAOYSA-N
XLogP0.49
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol?
The IUPAC name of 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol (CID 83084599) is 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol.
What is the SMILES notation for 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol?
The canonical SMILES for 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol is CSc1nc(N)nc(CCC(C)O)n1.
What is the InChIKey of 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol?
The InChIKey is KMLFNFXZJARQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(13)3-4-6-10-7(9)12-8(11-6)14-2/h5,13H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol?
4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol is sourced from PubChem (CID 83084599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).