1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid

C14H21N3O2 — CID 122106701

IUPAC1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cc(N2CC(C)CC(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-6-13(16-10(3)15-12)17-7-9(2)5-11(8-17)14(18)19/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyQRMBSSZMDIPXBF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds3

About 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid

1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106701) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106701
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cc(N2CC(C)CC(C(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H21N3O2/c1-4-12-6-13(16-10(3)15-12)17-7-9(2)5-11(8-17)14(18)19/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyQRMBSSZMDIPXBF-UHFFFAOYSA-N
XLogP1.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106701) is 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid is CCc1cc(N2CC(C)CC(C(=O)O)C2)nc(C)n1.
What is the InChIKey of 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QRMBSSZMDIPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-12-6-13(16-10(3)15-12)17-7-9(2)5-11(8-17)14(18)19/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid?
1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).