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

C10H19N5OS — CID 65419014

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-7(4-5-16)17-6-8-12-9(11)14-10(13-8)15(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyDRAKSQQSSHSPDN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.52
Rot. Bonds6

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

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol (PubChem CID 65419014) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol
PubChem CID65419014
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol
SMILESCC(CCO)SCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-7(4-5-16)17-6-8-12-9(11)14-10(13-8)15(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyDRAKSQQSSHSPDN-UHFFFAOYSA-N
XLogP0.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.52
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-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol (CID 65419014) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol is CC(CCO)SCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol?
The InChIKey is DRAKSQQSSHSPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-7(4-5-16)17-6-8-12-9(11)14-10(13-8)15(2)3/h7,16H,4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]butan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 0.52, 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]butan-1-ol is sourced from PubChem (CID 65419014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).