2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine

C11H15N5O — CID 44522565

IUPAC2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N)N=C(N)N1OCc1ccccc1
InChIInChI=1S/C11H15N5O/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,12,13,14,15)
InChIKeyWWTNGMCEVXYMLA-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.41
Rot. Bonds3

About 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine

2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (PubChem CID 44522565) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
PubChem CID44522565
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESCC1N=C(N)N=C(N)N1OCc1ccccc1
InChIInChI=1S/C11H15N5O/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,12,13,14,15)
InChIKeyWWTNGMCEVXYMLA-UHFFFAOYSA-N
XLogP0.41
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (CID 44522565) is 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is CC1N=C(N)N=C(N)N1OCc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is WWTNGMCEVXYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-14-10(12)15-11(13)16(8)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,12,13,14,15).
What are the key properties of 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 44522565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).