2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol

C14H19N5O2 — CID 80812514

IUPAC2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol
SMILESCCOc1nc(NC)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H19N5O2/c1-3-21-14-18-12(15-2)17-13(19-14)16-11(9-20)10-7-5-4-6-8-10/h4-8,11,20H,3,9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGMSQLVJNHFHIQM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.46
Rot. Bonds7

About 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol (PubChem CID 80812514) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol
PubChem CID80812514
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol
SMILESCCOc1nc(NC)nc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C14H19N5O2/c1-3-21-14-18-12(15-2)17-13(19-14)16-11(9-20)10-7-5-4-6-8-10/h4-8,11,20H,3,9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyGMSQLVJNHFHIQM-UHFFFAOYSA-N
XLogP1.46
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
2-[[6-(ethylamino)-2-pyridinyl]amino]-2-phenylethanol
CID 80827704

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol (CID 80812514) is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol is CCOc1nc(NC)nc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol?
The InChIKey is GMSQLVJNHFHIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-21-14-18-12(15-2)17-13(19-14)16-11(9-20)10-7-5-4-6-8-10/h4-8,11,20H,3,9H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol?
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol has a molecular weight of 289.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 80812514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).