2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol

C19H19N3O2 — CID 20898994

IUPAC2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
SMILESCOc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-12-4-9-18(23)17(10-12)22-19-11-16(20-13(2)21-19)14-5-7-15(24-3)8-6-14/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyHHMOJYXHKZFAKG-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.22
Rot. Bonds4

About 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol

2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol (PubChem CID 20898994) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol.

Molecular Properties

Compound Name2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
PubChem CID20898994
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol
SMILESCOc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-12-4-9-18(23)17(10-12)22-19-11-16(20-13(2)21-19)14-5-7-15(24-3)8-6-14/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyHHMOJYXHKZFAKG-UHFFFAOYSA-N
XLogP4.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
methyl 3-hydroxy-4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoate
CID 108778108
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012
methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 20898989
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-4-methylphenol
CID 618723
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
4-N-(2,4-dimethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872941
2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzonitrile;hydrochloride
CID 20997764
6-(3-methoxyphenyl)-2-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 59846648

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol?
The IUPAC name of 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol (CID 20898994) is 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol.
What is the SMILES notation for 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol?
The canonical SMILES for 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol is COc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1.
What is the InChIKey of 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol?
The InChIKey is HHMOJYXHKZFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-4-9-18(23)17(10-12)22-19-11-16(20-13(2)21-19)14-5-7-15(24-3)8-6-14/h4-11,23H,1-3H3,(H,20,21,22).
What are the key properties of 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol?
2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol has a molecular weight of 321.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]-4-methylphenol is sourced from PubChem (CID 20898994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).