2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol

C9H17N5O3 — CID 80842284

IUPAC2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESCCCOc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C9H17N5O3/c1-2-3-17-9-13-7(10)12-8(14-9)11-6(4-15)5-16/h6,15-16H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyNOXYZKJBDGWDGU-UHFFFAOYSA-N
MW243.27 g/mol
LogP-0.99
Rot. Bonds7

About 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol (PubChem CID 80842284) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
PubChem CID80842284
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
SMILESCCCOc1nc(N)nc(NC(CO)CO)n1
InChIInChI=1S/C9H17N5O3/c1-2-3-17-9-13-7(10)12-8(14-9)11-6(4-15)5-16/h6,15-16H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyNOXYZKJBDGWDGU-UHFFFAOYSA-N
XLogP-0.99
TPSA126.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 90392503
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106390397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol (CID 80842284) is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol is CCCOc1nc(N)nc(NC(CO)CO)n1.
What is the InChIKey of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
The InChIKey is NOXYZKJBDGWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-2-3-17-9-13-7(10)12-8(14-9)11-6(4-15)5-16/h6,15-16H,2-5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol?
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol has a molecular weight of 243.27 g/mol, XLogP of -0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 80842284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).