1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid

C15H24N4O3 — CID 72915520

IUPAC1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCNc1ccnc(N2CCCC(CCOC)(C(=O)O)C2)n1
InChIInChI=1S/C15H24N4O3/c1-3-16-12-5-8-17-14(18-12)19-9-4-6-15(11-19,13(20)21)7-10-22-2/h5,8H,3-4,6-7,9-11H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyCTCAYWIOGNYCQA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.62
Rot. Bonds7

About 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid

1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 72915520) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID72915520
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCNc1ccnc(N2CCCC(CCOC)(C(=O)O)C2)n1
InChIInChI=1S/C15H24N4O3/c1-3-16-12-5-8-17-14(18-12)19-9-4-6-15(11-19,13(20)21)7-10-22-2/h5,8H,3-4,6-7,9-11H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyCTCAYWIOGNYCQA-UHFFFAOYSA-N
XLogP1.62
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 72915520) is 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid is CCNc1ccnc(N2CCCC(CCOC)(C(=O)O)C2)n1.
What is the InChIKey of 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is CTCAYWIOGNYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-16-12-5-8-17-14(18-12)19-9-4-6-15(11-19,13(20)21)7-10-22-2/h5,8H,3-4,6-7,9-11H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72915520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).