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

C14H19N5O — CID 135433625

IUPAC2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C14H19N5O/c1-9-6-7-11(20)10(8-9)12-15-13(18(2)3)17-14(16-12)19(4)5/h6-8,20H,1-5H3
InChIKeyNNRFBSFDCJNBBQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.68
Rot. Bonds3

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

2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol (PubChem CID 135433625) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol
PubChem CID135433625
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol
SMILESCc1ccc(O)c(-c2nc(N(C)C)nc(N(C)C)n2)c1
InChIInChI=1S/C14H19N5O/c1-9-6-7-11(20)10(8-9)12-15-13(18(2)3)17-14(16-12)19(4)5/h6-8,20H,1-5H3
InChIKeyNNRFBSFDCJNBBQ-UHFFFAOYSA-N
XLogP1.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.68
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
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
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
2-{4-Amino-6-[2-(4-fluorophenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 5294237
(6E)-2,4-ditert-butyl-6-(4,6-diamino-1H-s-triazin-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135953403
4-(4,6-Diamino-1,3,5-triazin-2-YL)phenol
CID 4524718
4-[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]phenol
CID 136054608
2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenol
CID 18552

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The IUPAC name of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol (CID 135433625) is 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol.
What is the SMILES notation for 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The canonical SMILES for 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol is Cc1ccc(O)c(-c2nc(N(C)C)nc(N(C)C)n2)c1.
What is the InChIKey of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The InChIKey is NNRFBSFDCJNBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-7-11(20)10(8-9)12-15-13(18(2)3)17-14(16-12)19(4)5/h6-8,20H,1-5H3.
What are the key properties of 2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
2-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-methylphenol has a molecular weight of 273.34 g/mol, XLogP of 1.68, 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]-4-methylphenol is sourced from PubChem (CID 135433625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).