4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol

C13H14N2O2 — CID 130459465

IUPAC4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol
SMILESCOc1ncnc(C)c1-c1ccc(O)cc1C
InChIInChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)12-9(2)14-7-15-13(12)17-3/h4-7,16H,1-3H3
InChIKeyKIMIJZWBFNYHEA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.47
Rot. Bonds2

About 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol

4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol (PubChem CID 130459465) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol
PubChem CID130459465
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol
SMILESCOc1ncnc(C)c1-c1ccc(O)cc1C
InChIInChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)12-9(2)14-7-15-13(12)17-3/h4-7,16H,1-3H3
InChIKeyKIMIJZWBFNYHEA-UHFFFAOYSA-N
XLogP2.47
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dimethoxyphenyl)-3-methylphenol
CID 116811421
4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol
CID 137057864
4-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyrimidin-5-yl]-3-methylphenol
CID 130459327
methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
CID 163269595
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
CID 90142190
2,3-bis(4-hydroxy-2-methylphenyl)terephthalic acid
CID 67898898
3-methoxy-4-(3-methylpyrazin-2-yl)phenol
CID 136981278
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332
4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol
CID 141425246
4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
CID 71625173

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol?
The IUPAC name of 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol (CID 130459465) is 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol.
What is the SMILES notation for 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol?
The canonical SMILES for 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol is COc1ncnc(C)c1-c1ccc(O)cc1C.
What is the InChIKey of 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol?
The InChIKey is KIMIJZWBFNYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)12-9(2)14-7-15-13(12)17-3/h4-7,16H,1-3H3.
What are the key properties of 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol?
4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-6-methylpyrimidin-5-yl)-3-methylphenol is sourced from PubChem (CID 130459465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).