2-(piperazin-1-ylmethoxy)pyrimidine

C9H14N4O — CID 91340296

IUPAC2-(piperazin-1-ylmethoxy)pyrimidine
SMILESc1cnc(OCN2CCNCC2)nc1
InChIInChI=1S/C9H14N4O/c1-2-11-9(12-3-1)14-8-13-6-4-10-5-7-13/h1-3,10H,4-8H2
InChIKeyASBQPPHUJSVFOG-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.28
Rot. Bonds3

About 2-(piperazin-1-ylmethoxy)pyrimidine

2-(piperazin-1-ylmethoxy)pyrimidine (PubChem CID 91340296) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethoxy)pyrimidine
PubChem CID91340296
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(piperazin-1-ylmethoxy)pyrimidine
SMILESc1cnc(OCN2CCNCC2)nc1
InChIInChI=1S/C9H14N4O/c1-2-11-9(12-3-1)14-8-13-6-4-10-5-7-13/h1-3,10H,4-8H2
InChIKeyASBQPPHUJSVFOG-UHFFFAOYSA-N
XLogP-0.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethoxy)pyrimidine?
The IUPAC name of 2-(piperazin-1-ylmethoxy)pyrimidine (CID 91340296) is 2-(piperazin-1-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-(piperazin-1-ylmethoxy)pyrimidine?
The canonical SMILES for 2-(piperazin-1-ylmethoxy)pyrimidine is c1cnc(OCN2CCNCC2)nc1.
What is the InChIKey of 2-(piperazin-1-ylmethoxy)pyrimidine?
The InChIKey is ASBQPPHUJSVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-11-9(12-3-1)14-8-13-6-4-10-5-7-13/h1-3,10H,4-8H2.
What are the key properties of 2-(piperazin-1-ylmethoxy)pyrimidine?
2-(piperazin-1-ylmethoxy)pyrimidine has a molecular weight of 194.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethoxy)pyrimidine is sourced from PubChem (CID 91340296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).