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

C10H17N5O2S — CID 80890217

IUPAC3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
SMILESNc1nc(SCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C10H17N5O2S/c11-8-12-9(15-2-5-17-6-3-15)14-10(13-8)18-7-1-4-16/h16H,1-7H2,(H2,11,12,13,14)
InChIKeyGSMBIVBDWUIICH-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.24
Rot. Bonds5

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

3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol (PubChem CID 80890217) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
PubChem CID80890217
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol
SMILESNc1nc(SCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C10H17N5O2S/c11-8-12-9(15-2-5-17-6-3-15)14-10(13-8)18-7-1-4-16/h16H,1-7H2,(H2,11,12,13,14)
InChIKeyGSMBIVBDWUIICH-UHFFFAOYSA-N
XLogP-0.24
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311808
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885930
[1-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757087
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106928670
4-(2-methyloxolan-3-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 107765184
4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 155212041
4-(3-fluorophenyl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887155

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol (CID 80890217) is 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol is Nc1nc(SCCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol?
The InChIKey is GSMBIVBDWUIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c11-8-12-9(15-2-5-17-6-3-15)14-10(13-8)18-7-1-4-16/h16H,1-7H2,(H2,11,12,13,14).
What are the key properties of 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol?
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol has a molecular weight of 271.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 80890217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).