1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

C14H17N5O2 — CID 168823424

IUPAC1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1nccn1-c1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H17N5O2/c1-10-15-4-7-19(10)13-8-12(16-9-17-13)18-5-2-11(3-6-18)14(20)21/h4,7-9,11H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyVNNSPBYDWHKJPD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.27
Rot. Bonds3

About 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 168823424) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID168823424
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1nccn1-c1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H17N5O2/c1-10-15-4-7-19(10)13-8-12(16-9-17-13)18-5-2-11(3-6-18)14(20)21/h4,7-9,11H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyVNNSPBYDWHKJPD-UHFFFAOYSA-N
XLogP1.27
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 168823424) is 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is Cc1nccn1-c1cc(N2CCC(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is VNNSPBYDWHKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-15-4-7-19(10)13-8-12(16-9-17-13)18-5-2-11(3-6-18)14(20)21/h4,7-9,11H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168823424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).