2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid

C15H16N2O3 — CID 82306329

IUPAC2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1ncncc1CC(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-4-10(2)15(20-3)12(5-9)14-11(6-13(18)19)7-16-8-17-14/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyBSFWXEMHYRVHGB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid

2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid (PubChem CID 82306329) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
PubChem CID82306329
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1c(C)cc(C)cc1-c1ncncc1CC(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-4-10(2)15(20-3)12(5-9)14-11(6-13(18)19)7-16-8-17-14/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyBSFWXEMHYRVHGB-UHFFFAOYSA-N
XLogP2.40
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
2-[5-(2-methoxy-3,5-dimethylphenyl)furan-2-yl]acetic acid
CID 82368586
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82484966
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid (CID 82306329) is 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid is COc1c(C)cc(C)cc1-c1ncncc1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is BSFWXEMHYRVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-4-10(2)15(20-3)12(5-9)14-11(6-13(18)19)7-16-8-17-14/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid?
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82306329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).