3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid

C14H14N2O5 — CID 43233815

IUPAC3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14N2O5/c1-15-10(7-12(17)16(2)14(15)20)8-21-11-5-3-4-9(6-11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYBFRWRBJOLXWJH-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.36
Rot. Bonds4

About 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid

3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid (PubChem CID 43233815) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid
PubChem CID43233815
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid
SMILESCn1c(COc2cccc(C(=O)O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14N2O5/c1-15-10(7-12(17)16(2)14(15)20)8-21-11-5-3-4-9(6-11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYBFRWRBJOLXWJH-UHFFFAOYSA-N
XLogP0.36
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 154775439
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 79188544
3-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 79937643
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 46675232
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
3-[2-(1-methoxyethoxy)ethoxy]benzoic acid
CID 18784841
3-[2-(3,5-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 66085716
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid (CID 43233815) is 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid is Cn1c(COc2cccc(C(=O)O)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid?
The InChIKey is YBFRWRBJOLXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-15-10(7-12(17)16(2)14(15)20)8-21-11-5-3-4-9(6-11)13(18)19/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid?
3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid has a molecular weight of 290.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 43233815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).