3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol

C11H21N5OS — CID 80890311

IUPAC3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
SMILESCCN(CC)c1nc(N)nc(SC(C)CCO)n1
InChIInChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8(3)6-7-17/h8,17H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBLXUIKVHBKWUGF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.16
Rot. Bonds7

About 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol

3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol (PubChem CID 80890311) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
PubChem CID80890311
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
SMILESCCN(CC)c1nc(N)nc(SC(C)CCO)n1
InChIInChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8(3)6-7-17/h8,17H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBLXUIKVHBKWUGF-UHFFFAOYSA-N
XLogP1.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The IUPAC name of 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol (CID 80890311) is 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol is CCN(CC)c1nc(N)nc(SC(C)CCO)n1.
What is the InChIKey of 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
The InChIKey is BLXUIKVHBKWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8(3)6-7-17/h8,17H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol?
3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol has a molecular weight of 271.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 80890311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).