1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid

C13H19N3O2 — CID 122106616

IUPAC1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-4-11(12(17)18)7-16(6-8)13-14-5-9(2)10(3)15-13/h5,8,11H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyMPYSPMVTDRBQTJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.64
Rot. Bonds2

About 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid

1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106616) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106616
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-4-11(12(17)18)7-16(6-8)13-14-5-9(2)10(3)15-13/h5,8,11H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyMPYSPMVTDRBQTJ-UHFFFAOYSA-N
XLogP1.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106616) is 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid is Cc1cnc(N2CC(C)CC(C(=O)O)C2)nc1C.
What is the InChIKey of 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is MPYSPMVTDRBQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-11(12(17)18)7-16(6-8)13-14-5-9(2)10(3)15-13/h5,8,11H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).