4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid

C14H14N2O4 — CID 175811126

IUPAC4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(COc2ncnc(C)c2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-9-12(14(17)18)13(16-8-15-9)20-7-10-3-5-11(19-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXYPIGHNJVIHIBT-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.07
Rot. Bonds5

About 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid

4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid (PubChem CID 175811126) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid
PubChem CID175811126
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccc(COc2ncnc(C)c2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-9-12(14(17)18)13(16-8-15-9)20-7-10-3-5-11(19-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyXYPIGHNJVIHIBT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid (CID 175811126) is 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid is COc1ccc(COc2ncnc(C)c2C(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is XYPIGHNJVIHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-12(14(17)18)13(16-8-15-9)20-7-10-3-5-11(19-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid?
4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 175811126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).