2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine

C11H15N5O — CID 131712249

IUPAC2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1O.Cc1nc(N)nc(N)n1
InChIInChI=1S/C7H8O.C4H7N5/c1-6-4-2-3-5-7(6)8;1-2-7-3(5)9-4(6)8-2/h2-5,8H,1H3;1H3,(H4,5,6,7,8,9)
InChIKeyIMORAMBXJIAMTN-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.05
Rot. Bonds

About 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine

2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 131712249) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID131712249
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1O.Cc1nc(N)nc(N)n1
InChIInChI=1S/C7H8O.C4H7N5/c1-6-4-2-3-5-7(6)8;1-2-7-3(5)9-4(6)8-2/h2-5,8H,1H3;1H3,(H4,5,6,7,8,9)
InChIKeyIMORAMBXJIAMTN-UHFFFAOYSA-N
XLogP1.05
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine (CID 131712249) is 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine is Cc1ccccc1O.Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IMORAMBXJIAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H7N5/c1-6-4-2-3-5-7(6)8;1-2-7-3(5)9-4(6)8-2/h2-5,8H,1H3;1H3,(H4,5,6,7,8,9).
What are the key properties of 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine?
2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenol;6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 131712249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).