2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol

C9H15N5OS — CID 80884149

IUPAC2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
SMILESNc1nc(SCCO)nc(N2CCCC2)n1
InChIInChI=1S/C9H15N5OS/c10-7-11-8(14-3-1-2-4-14)13-9(12-7)16-6-5-15/h15H,1-6H2,(H2,10,11,12,13)
InChIKeyNNPAQENTXBXONK-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.14
Rot. Bonds4

About 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol (PubChem CID 80884149) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
PubChem CID80884149
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
SMILESNc1nc(SCCO)nc(N2CCCC2)n1
InChIInChI=1S/C9H15N5OS/c10-7-11-8(14-3-1-2-4-14)13-9(12-7)16-6-5-15/h15H,1-6H2,(H2,10,11,12,13)
InChIKeyNNPAQENTXBXONK-UHFFFAOYSA-N
XLogP0.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol with MolForge

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Related Compounds

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
CID 80890217
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80886210
4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80892959
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
CID 80810678
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80929189
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium
CID 1419904

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol (CID 80884149) is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol is Nc1nc(SCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The InChIKey is NNPAQENTXBXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c10-7-11-8(14-3-1-2-4-14)13-9(12-7)16-6-5-15/h15H,1-6H2,(H2,10,11,12,13).
What are the key properties of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol has a molecular weight of 241.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 80884149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).