1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid

C13H19N3O3 — CID 106742528

IUPAC1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)CC2C)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-10(13(17)18)4-5-16(8)11-7-12(19-3)15-9(2)14-11/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyBJWLJOGWPSEAMJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds3

About 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid

1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742528) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742528
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)CC2C)nc(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-6-10(13(17)18)4-5-16(8)11-7-12(19-3)15-9(2)14-11/h7-8,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyBJWLJOGWPSEAMJ-UHFFFAOYSA-N
XLogP1.48
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 106742662
1-(6-carbamoyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742498
(2S)-2-methyl-1-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 175435524
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742720
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66333682
2-[(1R,5S)-3-[2-methyl-6-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 174197461
4-(3-chloropiperidin-1-yl)-6-methoxy-2-methylpyrimidine
CID 66331875
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-2-methylpyrimidine
CID 66332868

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid (CID 106742528) is 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid is COc1cc(N2CCC(C(=O)O)CC2C)nc(C)n1.
What is the InChIKey of 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BJWLJOGWPSEAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-6-10(13(17)18)4-5-16(8)11-7-12(19-3)15-9(2)14-11/h7-8,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid?
1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).