2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol

C12H15N5O — CID 137068445

IUPAC2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol
SMILESCNc1nc(NC)nc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C12H15N5O/c1-7-4-5-9(18)8(6-7)10-15-11(13-2)17-12(14-3)16-10/h4-6,18H,1-3H3,(H2,13,14,15,16,17)
InChIKeyLHECYZFEUBXQAF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.64
Rot. Bonds3

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

2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol (PubChem CID 137068445) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol
PubChem CID137068445
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol
SMILESCNc1nc(NC)nc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C12H15N5O/c1-7-4-5-9(18)8(6-7)10-15-11(13-2)17-12(14-3)16-10/h4-6,18H,1-3H3,(H2,13,14,15,16,17)
InChIKeyLHECYZFEUBXQAF-UHFFFAOYSA-N
XLogP1.64
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The IUPAC name of 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol (CID 137068445) is 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol.
What is the SMILES notation for 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The canonical SMILES for 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol is CNc1nc(NC)nc(-c2cc(C)ccc2O)n1.
What is the InChIKey of 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
The InChIKey is LHECYZFEUBXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-4-5-9(18)8(6-7)10-15-11(13-2)17-12(14-3)16-10/h4-6,18H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol?
2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol has a molecular weight of 245.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-4-methylphenol is sourced from PubChem (CID 137068445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).