6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid

C15H22N4O2 — CID 58305434

IUPAC6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(14(20)21)17-15(16-11)19-8-4-12(5-9-19)18-6-2-3-7-18/h10,12H,2-9H2,1H3,(H,20,21)
InChIKeyNJNBFNYTDXWIHU-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.55
Rot. Bonds3

About 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid

6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 58305434) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID58305434
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(14(20)21)17-15(16-11)19-8-4-12(5-9-19)18-6-2-3-7-18/h10,12H,2-9H2,1H3,(H,20,21)
InChIKeyNJNBFNYTDXWIHU-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 58305434) is 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is NJNBFNYTDXWIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-10-13(14(20)21)17-15(16-11)19-8-4-12(5-9-19)18-6-2-3-7-18/h10,12H,2-9H2,1H3,(H,20,21).
What are the key properties of 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid?
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58305434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).