2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid

C16H18N2O3 — CID 61373629

IUPAC2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCOc1ccc(Cc2nc(C)c(CC(=O)O)c(C)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-10-14(9-16(19)20)11(2)18-15(17-10)8-12-4-6-13(21-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyBMEAMYNHZOCQID-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid

2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid (PubChem CID 61373629) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
PubChem CID61373629
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCOc1ccc(Cc2nc(C)c(CC(=O)O)c(C)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-10-14(9-16(19)20)11(2)18-15(17-10)8-12-4-6-13(21-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyBMEAMYNHZOCQID-UHFFFAOYSA-N
XLogP2.32
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-hydroxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 115070018
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-[2-[[4-[(4-methoxybenzoyl)amino]phenyl]methyl]-4,6-bis(methylsulfanyl)pyrimidin-5-yl]acetic acid
CID 25235642
2-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 115079127
2-[3-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl]acetic acid
CID 82554585
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid
CID 126616071
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
2-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 55152146
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
4-amino-2-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116647095
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid (CID 61373629) is 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid is COc1ccc(Cc2nc(C)c(CC(=O)O)c(C)n2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
The InChIKey is BMEAMYNHZOCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-14(9-16(19)20)11(2)18-15(17-10)8-12-4-6-13(21-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid?
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 61373629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).