1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid

C13H19N3O3 — CID 110277709

IUPAC1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCOCc1cc(N2CCCC(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-19-2)6-12(15-9)16-5-3-4-10(7-16)13(17)18/h6,10H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyWQOVJNVXRVVAHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.23
Rot. Bonds4

About 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid

1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 110277709) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID110277709
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCOCc1cc(N2CCCC(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(8-19-2)6-12(15-9)16-5-3-4-10(7-16)13(17)18/h6,10H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyWQOVJNVXRVVAHJ-UHFFFAOYSA-N
XLogP1.23
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-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

1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
(3R)-1-[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975965
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid (CID 110277709) is 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid is COCc1cc(N2CCCC(C(=O)O)C2)nc(C)n1.
What is the InChIKey of 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is WQOVJNVXRVVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-11(8-19-2)6-12(15-9)16-5-3-4-10(7-16)13(17)18/h6,10H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 110277709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).