2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol

C13H17N5O2 — CID 23295141

IUPAC2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O2/c19-8-6-14-12-16-11(10-4-2-1-3-5-10)17-13(18-12)15-7-9-20/h1-5,19-20H,6-9H2,(H2,14,15,16,17,18)
InChIKeyASKIFABXIMMFPR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.35
Rot. Bonds7

About 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23295141) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23295141
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O2/c19-8-6-14-12-16-11(10-4-2-1-3-5-10)17-13(18-12)15-7-9-20/h1-5,19-20H,6-9H2,(H2,14,15,16,17,18)
InChIKeyASKIFABXIMMFPR-UHFFFAOYSA-N
XLogP0.35
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328
4-N-(oxan-3-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 117817344
4-Amino-2-benzylamino-6-phenyl-1,3,5-triazine
CID 892542
4-Butoxy-6-phenyl-1,3,5-triazin-2-amine
CID 2256009
s-Triazine, 2,4-bis(methyl-amino)-6-phenyl-
CID 220910
2-[(4-Morpholin-4-yl-6-phenyl-1,3,5-triazin-2-yl)amino]acetic acid
CID 60161907
4-Methoxy-6-phenyl-1,3,5-triazin-2-amine
CID 35254
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)(phenylmethyl)amino)-
CID 3080127
4-[[4-(3-Carboxypropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]butanoic acid
CID 164611201
2-[[4-(Carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid
CID 164612064
1-[[4-(2-Oxopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]propan-2-one
CID 164619406

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol (CID 23295141) is 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NCCO)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is ASKIFABXIMMFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-8-6-14-12-16-11(10-4-2-1-3-5-10)17-13(18-12)15-7-9-20/h1-5,19-20H,6-9H2,(H2,14,15,16,17,18).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 275.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23295141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).