4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine

C11H12N4O — CID 2746286

IUPAC4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-8-13-10(15-11(12)14-8)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKeyVVAVLPXNKMSLPO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.34
Rot. Bonds3

About 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine

4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 2746286) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine
PubChem CID2746286
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-8-13-10(15-11(12)14-8)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14,15)
InChIKeyVVAVLPXNKMSLPO-UHFFFAOYSA-N
XLogP1.34
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine (CID 2746286) is 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(COc2ccccc2)n1.
What is the InChIKey of 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is VVAVLPXNKMSLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-13-10(15-11(12)14-8)7-16-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 216.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 2746286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).