2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid

C13H19N3O2 — CID 83181833

IUPAC2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(C)CC2C)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-4-5-16(9(2)6-8)13-14-7-11(12(17)18)10(3)15-13/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWSVFFDDMOMYAJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid

2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181833) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181833
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCC(C)CC2C)ncc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-8-4-5-16(9(2)6-8)13-14-7-11(12(17)18)10(3)15-13/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWSVFFDDMOMYAJO-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid (CID 83181833) is 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(N2CCC(C)CC2C)ncc1C(=O)O.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is WSVFFDDMOMYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-5-16(9(2)6-8)13-14-7-11(12(17)18)10(3)15-13/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid?
2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).