2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

C12H17N3O3 — CID 137015942

IUPAC2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-13-9(7-10(16)14-8)15-6-4-3-5-12(15,2)11(17)18/h7H,3-6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyJHFPNYJJLUNPAT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.91
Rot. Bonds2

About 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 137015942) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID137015942
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-13-9(7-10(16)14-8)15-6-4-3-5-12(15,2)11(17)18/h7H,3-6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyJHFPNYJJLUNPAT-UHFFFAOYSA-N
XLogP0.91
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperidine-2-carboxylic acid
CID 86284831
(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 99973590
(2R)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 99973591
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672024
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136672028
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689827
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
3,3-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689830
3,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689831
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 137015942) is 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is JHFPNYJJLUNPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-13-9(7-10(16)14-8)15-6-4-3-5-12(15,2)11(17)18/h7H,3-6H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 137015942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).