4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol

C19H19N3O — CID 20898981

IUPAC4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1
InChIInChI=1S/C19H19N3O/c1-12-4-7-15(8-5-12)16-11-19(21-14(3)20-16)22-17-10-13(2)6-9-18(17)23/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyYJOZMHRWABWAHX-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.52
Rot. Bonds3

About 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol

4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol (PubChem CID 20898981) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol
PubChem CID20898981
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1
InChIInChI=1S/C19H19N3O/c1-12-4-7-15(8-5-12)16-11-19(21-14(3)20-16)22-17-10-13(2)6-9-18(17)23/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyYJOZMHRWABWAHX-UHFFFAOYSA-N
XLogP4.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol (CID 20898981) is 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol is Cc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1.
What is the InChIKey of 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol?
The InChIKey is YJOZMHRWABWAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-4-7-15(8-5-12)16-11-19(21-14(3)20-16)22-17-10-13(2)6-9-18(17)23/h4-11,23H,1-3H3,(H,20,21,22).
What are the key properties of 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol?
4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol has a molecular weight of 305.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 20898981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).