6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine

C10H11N5O — CID 827417

IUPAC6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)6-16-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15)
InChIKeyGRPJTOQFVATLDR-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.62
Rot. Bonds3

About 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine

6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 827417) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID827417
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(COc2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)6-16-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15)
InChIKeyGRPJTOQFVATLDR-UHFFFAOYSA-N
XLogP0.62
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine (CID 827417) is 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(COc2ccccc2)n1.
What is the InChIKey of 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GRPJTOQFVATLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-13-8(14-10(12)15-9)6-16-7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,13,14,15).
What are the key properties of 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine?
6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 217.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 827417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).