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

C12H23N5O3 — CID 107868657

IUPAC2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCCNc1nc(NC(CC)(CO)CO)nc(OC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-13-9-14-10(16-11(15-9)20-3)17-12(5-2,7-18)8-19/h18-19H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRSCGNRJFLSTXHI-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.25
Rot. Bonds9

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

2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (PubChem CID 107868657) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
PubChem CID107868657
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCCNc1nc(NC(CC)(CO)CO)nc(OC)n1
InChIInChI=1S/C12H23N5O3/c1-4-6-13-9-14-10(16-11(15-9)20-3)17-12(5-2,7-18)8-19/h18-19H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRSCGNRJFLSTXHI-UHFFFAOYSA-N
XLogP0.25
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868576
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028208
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (CID 107868657) is 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is CCCNc1nc(NC(CC)(CO)CO)nc(OC)n1.
What is the InChIKey of 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The InChIKey is RSCGNRJFLSTXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-4-6-13-9-14-10(16-11(15-9)20-3)17-12(5-2,7-18)8-19/h18-19H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol has a molecular weight of 285.35 g/mol, XLogP of 0.25, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107868657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).