[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol

C19H21N5O — CID 155519260

IUPAC[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESCN(C)c1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C19H21N5O/c1-24(2)19-22-17(16-11-7-6-10-15(16)13-25)21-18(23-19)20-12-14-8-4-3-5-9-14/h3-11,25H,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyFRGQYNJCMGLJSM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds6

About [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol

[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155519260) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155519260
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESCN(C)c1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C19H21N5O/c1-24(2)19-22-17(16-11-7-6-10-15(16)13-25)21-18(23-19)20-12-14-8-4-3-5-9-14/h3-11,25H,12-13H2,1-2H3,(H,20,21,22,23)
InChIKeyFRGQYNJCMGLJSM-UHFFFAOYSA-N
XLogP2.71
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol (CID 155519260) is [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol is CN(C)c1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is FRGQYNJCMGLJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(2)19-22-17(16-11-7-6-10-15(16)13-25)21-18(23-19)20-12-14-8-4-3-5-9-14/h3-11,25H,12-13H2,1-2H3,(H,20,21,22,23).
What are the key properties of [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 335.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155519260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).