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

C11H12N4O — CID 950458

IUPAC2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
SMILESCNc1nc(C)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H12N4O/c1-7-13-10(15-11(12-2)14-7)8-5-3-4-6-9(8)16/h3-6,16H,1-2H3,(H,12,13,14,15)
InChIKeyJIMCXDPSVCYANB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.59
Rot. Bonds2

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

2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol (PubChem CID 950458) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
PubChem CID950458
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
SMILESCNc1nc(C)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H12N4O/c1-7-13-10(15-11(12-2)14-7)8-5-3-4-6-9(8)16/h3-6,16H,1-2H3,(H,12,13,14,15)
InChIKeyJIMCXDPSVCYANB-UHFFFAOYSA-N
XLogP1.59
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol (CID 950458) is 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol is CNc1nc(C)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol?
The InChIKey is JIMCXDPSVCYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-13-10(15-11(12-2)14-7)8-5-3-4-6-9(8)16/h3-6,16H,1-2H3,(H,12,13,14,15).
What are the key properties of 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol?
2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol has a molecular weight of 216.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 950458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).