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

C14H14N2O4 — CID 117225486

IUPAC2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1cccc(-c2ncc(CC(=O)O)c(OC)n2)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-5-3-4-9(6-11)13-15-8-10(7-12(17)18)14(16-13)20-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyKRZXRZWGBJJYTC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.79
Rot. Bonds5

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

2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid (PubChem CID 117225486) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
PubChem CID117225486
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid
SMILESCOc1cccc(-c2ncc(CC(=O)O)c(OC)n2)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-5-3-4-9(6-11)13-15-8-10(7-12(17)18)14(16-13)20-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyKRZXRZWGBJJYTC-UHFFFAOYSA-N
XLogP1.79
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482
4-(difluoromethyl)-2-(3-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 62891615
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
2-(3-methoxyphenyl)-4-methylpyrimidine-5-carbaldehyde
CID 82288198
4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567298
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid (CID 117225486) is 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid is COc1cccc(-c2ncc(CC(=O)O)c(OC)n2)c1.
What is the InChIKey of 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is KRZXRZWGBJJYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-11-5-3-4-9(6-11)13-15-8-10(7-12(17)18)14(16-13)20-2/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid?
2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(3-methoxyphenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 117225486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).