piperazin-1-yl pyrimidine-5-carboxylate

C9H12N4O2 — CID 175281590

IUPACpiperazin-1-yl pyrimidine-5-carboxylate
SMILESO=C(ON1CCNCC1)c1cncnc1
InChIInChI=1S/C9H12N4O2/c14-9(8-5-11-7-12-6-8)15-13-3-1-10-2-4-13/h5-7,10H,1-4H2
InChIKeyGOWZOYSSYOBDMK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.55
Rot. Bonds2

About piperazin-1-yl pyrimidine-5-carboxylate

piperazin-1-yl pyrimidine-5-carboxylate (PubChem CID 175281590) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is piperazin-1-yl pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepiperazin-1-yl pyrimidine-5-carboxylate
PubChem CID175281590
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Namepiperazin-1-yl pyrimidine-5-carboxylate
SMILESO=C(ON1CCNCC1)c1cncnc1
InChIInChI=1S/C9H12N4O2/c14-9(8-5-11-7-12-6-8)15-13-3-1-10-2-4-13/h5-7,10H,1-4H2
InChIKeyGOWZOYSSYOBDMK-UHFFFAOYSA-N
XLogP-0.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze piperazin-1-yl pyrimidine-5-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 piperazin-1-yl pyrimidine-5-carboxylate?
The IUPAC name of piperazin-1-yl pyrimidine-5-carboxylate (CID 175281590) is piperazin-1-yl pyrimidine-5-carboxylate.
What is the SMILES notation for piperazin-1-yl pyrimidine-5-carboxylate?
The canonical SMILES for piperazin-1-yl pyrimidine-5-carboxylate is O=C(ON1CCNCC1)c1cncnc1.
What is the InChIKey of piperazin-1-yl pyrimidine-5-carboxylate?
The InChIKey is GOWZOYSSYOBDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-9(8-5-11-7-12-6-8)15-13-3-1-10-2-4-13/h5-7,10H,1-4H2.
What are the key properties of piperazin-1-yl pyrimidine-5-carboxylate?
piperazin-1-yl pyrimidine-5-carboxylate has a molecular weight of 208.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl pyrimidine-5-carboxylate is sourced from PubChem (CID 175281590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).