ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

C12H18N4O3 — CID 137007739

IUPACethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)8-5-3-4-6-16(8)10-9(13)11(17)15-7-14-10/h7-8H,2-6,13H2,1H3,(H,14,15,17)
InChIKeySZUDRQVHXQBFPL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.27
Rot. Bonds3

About ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 137007739) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID137007739
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)8-5-3-4-6-16(8)10-9(13)11(17)15-7-14-10/h7-8H,2-6,13H2,1H3,(H,14,15,17)
InChIKeySZUDRQVHXQBFPL-UHFFFAOYSA-N
XLogP0.27
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate 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 ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 137007739) is ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is SZUDRQVHXQBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)8-5-3-4-6-16(8)10-9(13)11(17)15-7-14-10/h7-8H,2-6,13H2,1H3,(H,14,15,17).
What are the key properties of ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 137007739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).