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

C12H22N6O2S — CID 106311808

IUPAC3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNc1nc(NCCSCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2S/c13-10-15-11(14-2-9-21-8-1-5-19)17-12(16-10)18-3-6-20-7-4-18/h19H,1-9H2,(H3,13,14,15,16,17)
InChIKeyIYFISVPTHSIDEX-UHFFFAOYSA-N
MW314.42 g/mol
LogP-0.18
Rot. Bonds8

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

3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311808) has the molecular formula C12H22N6O2S and a molecular weight of 314.42 g/mol. Its IUPAC name is 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106311808
Molecular FormulaC12H22N6O2S
Molecular Weight314.42 g/mol
Exact Mass314.15
IUPAC Name3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNc1nc(NCCSCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2S/c13-10-15-11(14-2-9-21-8-1-5-19)17-12(16-10)18-3-6-20-7-4-18/h19H,1-9H2,(H3,13,14,15,16,17)
InChIKeyIYFISVPTHSIDEX-UHFFFAOYSA-N
XLogP-0.18
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
CID 80890217
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
CID 110178408
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-N-(2-imidazol-1-ylethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80780690
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
[1-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757087
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80814477

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol (CID 106311808) is 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol is Nc1nc(NCCSCCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is IYFISVPTHSIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2S/c13-10-15-11(14-2-9-21-8-1-5-19)17-12(16-10)18-3-6-20-7-4-18/h19H,1-9H2,(H3,13,14,15,16,17).
What are the key properties of 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 314.42 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).