2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid

C12H15N3O3 — CID 107554479

IUPAC2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid
SMILESCOCC1=CCN(c2nccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O3/c1-18-8-9-3-6-15(7-4-9)12-13-5-2-10(14-12)11(16)17/h2-3,5H,4,6-8H2,1H3,(H,16,17)
InChIKeyXIYNJVUPAIPQRJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid

2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 107554479) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID107554479
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid
SMILESCOCC1=CCN(c2nccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O3/c1-18-8-9-3-6-15(7-4-9)12-13-5-2-10(14-12)11(16)17/h2-3,5H,4,6-8H2,1H3,(H,16,17)
InChIKeyXIYNJVUPAIPQRJ-UHFFFAOYSA-N
XLogP0.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]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-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpyridine-3-carboxylic acid
CID 114413607
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carboxylic acid
CID 107063089
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-5-yl]methanol
CID 114411420
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]furan-2-carboxylic acid
CID 114410178
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114410182
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
CID 107058535
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 54412110
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid (CID 107554479) is 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid is COCC1=CCN(c2nccc(C(=O)O)n2)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is XIYNJVUPAIPQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-8-9-3-6-15(7-4-9)12-13-5-2-10(14-12)11(16)17/h2-3,5H,4,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid?
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).