2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid

C12H17N3O3 — CID 107554961

IUPAC2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
SMILESCN1CCCCC1COc1nccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-12-13-6-5-10(14-12)11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyCRNDRVNSCKNBTJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.04
Rot. Bonds4

About 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid

2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid (PubChem CID 107554961) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
PubChem CID107554961
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
SMILESCN1CCCCC1COc1nccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-12-13-6-5-10(14-12)11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyCRNDRVNSCKNBTJ-UHFFFAOYSA-N
XLogP1.04
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
[4-methyl-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-yl]methanol
CID 83184394
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
CID 65472829
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060
(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
CID 23904865

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid (CID 107554961) is 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid is CN1CCCCC1COc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid?
The InChIKey is CRNDRVNSCKNBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-12-13-6-5-10(14-12)11(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid?
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).