methyl 2-piperazin-1-ylpyrimidine-5-carboxylate

C10H14N4O2 — CID 57471612

IUPACmethyl 2-piperazin-1-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)8-6-12-10(13-7-8)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyVJGHOGNHILBYCU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.33
Rot. Bonds2

About methyl 2-piperazin-1-ylpyrimidine-5-carboxylate

methyl 2-piperazin-1-ylpyrimidine-5-carboxylate (PubChem CID 57471612) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 2-piperazin-1-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-ylpyrimidine-5-carboxylate
PubChem CID57471612
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 2-piperazin-1-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)8-6-12-10(13-7-8)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3
InChIKeyVJGHOGNHILBYCU-UHFFFAOYSA-N
XLogP-0.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-ylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-piperazin-1-ylpyrimidine-5-carboxylate (CID 57471612) is methyl 2-piperazin-1-ylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-piperazin-1-ylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-piperazin-1-ylpyrimidine-5-carboxylate is COC(=O)c1cnc(N2CCNCC2)nc1.
What is the InChIKey of methyl 2-piperazin-1-ylpyrimidine-5-carboxylate?
The InChIKey is VJGHOGNHILBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-9(15)8-6-12-10(13-7-8)14-4-2-11-3-5-14/h6-7,11H,2-5H2,1H3.
What are the key properties of methyl 2-piperazin-1-ylpyrimidine-5-carboxylate?
methyl 2-piperazin-1-ylpyrimidine-5-carboxylate has a molecular weight of 222.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 57471612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).