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

C13H17N5O — CID 67518527

IUPAC2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCc1nc(Nc2ccccc2)nc(N(C)CCO)n1
InChIInChI=1S/C13H17N5O/c1-10-14-12(16-11-6-4-3-5-7-11)17-13(15-10)18(2)8-9-19/h3-7,19H,8-9H2,1-2H3,(H,14,15,16,17)
InChIKeyFBFILXXIIMJNTJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.35
Rot. Bonds5

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

2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol (PubChem CID 67518527) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol
PubChem CID67518527
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCc1nc(Nc2ccccc2)nc(N(C)CCO)n1
InChIInChI=1S/C13H17N5O/c1-10-14-12(16-11-6-4-3-5-7-11)17-13(15-10)18(2)8-9-19/h3-7,19H,8-9H2,1-2H3,(H,14,15,16,17)
InChIKeyFBFILXXIIMJNTJ-UHFFFAOYSA-N
XLogP1.35
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
4-(Ethylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 778602
N,N,N',N'-Tetramethyl-N''-phenyl-[1,3,5]triazine-2,4,6-triamine
CID 1090715
2-[[4-(2-Fluoroanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 3146877
4-(Phenylamino)-6-(propylamino)-1,3,5-triazine-2-carbonitrile
CID 44459954
4-(Isobutylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 44459957
4-(Cyclopentylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 44459961
s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
CID 210898
4-(Isopropylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 914535
4-(Butylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 44459958
4-(4-Hydroxybutylamino)-6-(phenylamino)-1,3,5-triazine-2-carbonitrile
CID 44459963
4-(4-Fluoroanilino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 145982654

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol (CID 67518527) is 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol is Cc1nc(Nc2ccccc2)nc(N(C)CCO)n1.
What is the InChIKey of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The InChIKey is FBFILXXIIMJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-14-12(16-11-6-4-3-5-7-11)17-13(15-10)18(2)8-9-19/h3-7,19H,8-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol?
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol has a molecular weight of 259.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 67518527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).