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

C10H19N5O3 — CID 107868576

IUPAC2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(NC)nc(OC)n1
InChIInChI=1S/C10H19N5O3/c1-4-10(5-16,6-17)15-8-12-7(11-2)13-9(14-8)18-3/h16-17H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyWFMWTRVUMIRCEE-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.53
Rot. Bonds7

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

2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (PubChem CID 107868576) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
PubChem CID107868576
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(NC)nc(OC)n1
InChIInChI=1S/C10H19N5O3/c1-4-10(5-16,6-17)15-8-12-7(11-2)13-9(14-8)18-3/h16-17H,4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyWFMWTRVUMIRCEE-UHFFFAOYSA-N
XLogP-0.53
TPSA112.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N-(3-ethylpentan-3-yl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80840573
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866305
6-methoxy-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174661
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
CID 107868608
N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028208
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009564
[1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 80832271
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol (CID 107868576) is 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is CCC(CO)(CO)Nc1nc(NC)nc(OC)n1.
What is the InChIKey of 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
The InChIKey is WFMWTRVUMIRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-4-10(5-16,6-17)15-8-12-7(11-2)13-9(14-8)18-3/h16-17H,4-6H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol?
2-ethyl-2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol has a molecular weight of 257.29 g/mol, XLogP of -0.53, 7 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-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107868576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).