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

C12H13Cl2N5O — CID 15435613

IUPAC2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O/c1-19(4-5-20)12-17-10(16-11(15)18-12)8-6-7(13)2-3-9(8)14/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18)
InChIKeyODHSEPWROYITHO-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.86
Rot. Bonds4

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

2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol (PubChem CID 15435613) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol
PubChem CID15435613
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5O/c1-19(4-5-20)12-17-10(16-11(15)18-12)8-6-7(13)2-3-9(8)14/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18)
InChIKeyODHSEPWROYITHO-UHFFFAOYSA-N
XLogP1.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol with MolForge

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Related Compounds

Irsogladine
CID 3752
6-(3-Chloro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730457
4-(4-Chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 65647411
4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 105395995
4-chloro-6-(2-chloro-5-fluorophenyl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 105395997
4-[4-Chloro-6-(2-chloro-5-fluorophenyl)-1,3,5-triazin-2-yl]morpholine
CID 105396012
6-(2-chloro-5-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 105396071
4-(2-chloro-5-fluorophenyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 105396102
4-(2-chloro-5-fluorophenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 105396108
4-(2-chloro-5-fluorophenyl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 105396112
4-(2-Chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 105396113
4-(2-chloro-5-fluorophenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 105396114

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol (CID 15435613) is 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol is CN(CCO)c1nc(N)nc(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol?
The InChIKey is ODHSEPWROYITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c1-19(4-5-20)12-17-10(16-11(15)18-12)8-6-7(13)2-3-9(8)14/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol?
2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol has a molecular weight of 314.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol is sourced from PubChem (CID 15435613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).