1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid

C17H20N4O3 — CID 56767437

IUPAC1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCOCc1cc(N2CCCCC2C(=O)O)nc(-c2ccncc2)n1
InChIInChI=1S/C17H20N4O3/c1-24-11-13-10-15(21-9-3-2-4-14(21)17(22)23)20-16(19-13)12-5-7-18-8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,22,23)
InChIKeyKWPRHUMNEZIERF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds5

About 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid

1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid (PubChem CID 56767437) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
PubChem CID56767437
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCOCc1cc(N2CCCCC2C(=O)O)nc(-c2ccncc2)n1
InChIInChI=1S/C17H20N4O3/c1-24-11-13-10-15(21-9-3-2-4-14(21)17(22)23)20-16(19-13)12-5-7-18-8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,22,23)
InChIKeyKWPRHUMNEZIERF-UHFFFAOYSA-N
XLogP2.13
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767481
1-[6-ethyl-2-(2-fluorophenyl)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767423
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
N-[2-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-yl]-2-methoxyacetamide
CID 126838745
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 95928534
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]-1,4-diazepane
CID 71564074

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid (CID 56767437) is 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid is COCc1cc(N2CCCCC2C(=O)O)nc(-c2ccncc2)n1.
What is the InChIKey of 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The InChIKey is KWPRHUMNEZIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-24-11-13-10-15(21-9-3-2-4-14(21)17(22)23)20-16(19-13)12-5-7-18-8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,22,23).
What are the key properties of 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid?
1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 56767437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).