2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol

C13H17N5O — CID 135827477

IUPAC2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccccc2O)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-7-5-6-8-10(9)19/h5-8,19H,1-4H3
InChIKeyTZVSECAWBFIDNM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds3

About 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol

2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol (PubChem CID 135827477) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
PubChem CID135827477
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol
SMILESCN(C)c1nc(-c2ccccc2O)nc(N(C)C)n1
InChIInChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-7-5-6-8-10(9)19/h5-8,19H,1-4H3
InChIKeyTZVSECAWBFIDNM-UHFFFAOYSA-N
XLogP1.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol
CID 135566556
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol
CID 135566557
2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
CID 950458
Phenol, 2,2'-[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis-
CID 3245651
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-[4-Amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826985
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol (CID 135827477) is 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol is CN(C)c1nc(-c2ccccc2O)nc(N(C)C)n1.
What is the InChIKey of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
The InChIKey is TZVSECAWBFIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)12-14-11(15-13(16-12)18(3)4)9-7-5-6-8-10(9)19/h5-8,19H,1-4H3.
What are the key properties of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol?
2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135827477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).