2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid

C14H15N3O4 — CID 82169766

IUPAC2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(COc2cccc(OC)c2)n1
InChIInChI=1S/C14H15N3O4/c1-15-12-7-11(14(18)19)16-13(17-12)8-21-10-5-3-4-9(6-10)20-2/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyISQQJVKSCWMMHW-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.80
Rot. Bonds6

About 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid

2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 82169766) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID82169766
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(COc2cccc(OC)c2)n1
InChIInChI=1S/C14H15N3O4/c1-15-12-7-11(14(18)19)16-13(17-12)8-21-10-5-3-4-9(6-10)20-2/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyISQQJVKSCWMMHW-UHFFFAOYSA-N
XLogP1.80
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethylphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169750
6-(methylamino)-2-[(3-propan-2-ylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169751
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
6-chloro-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82168815
2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169776
6-(methoxymethyl)-N-methyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 62716726
2-(benzenesulfonylmethyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169741
2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169959
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82170225
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
4-[(3-methoxyphenoxy)methyl]-1,1-dioxo-1,2-thiazole-5-carboxylic acid
CID 117216367

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid (CID 82169766) is 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(COc2cccc(OC)c2)n1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is ISQQJVKSCWMMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-15-12-7-11(14(18)19)16-13(17-12)8-21-10-5-3-4-9(6-10)20-2/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).