4-methoxy-2-piperazin-1-ylpyrimidine

C9H14N4O — CID 11480987

IUPAC4-methoxy-2-piperazin-1-ylpyrimidine
SMILESCOc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyUWNRWWIRIZDKLH-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.11
Rot. Bonds2

About 4-methoxy-2-piperazin-1-ylpyrimidine

4-methoxy-2-piperazin-1-ylpyrimidine (PubChem CID 11480987) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methoxy-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-piperazin-1-ylpyrimidine
PubChem CID11480987
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-methoxy-2-piperazin-1-ylpyrimidine
SMILESCOc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyUWNRWWIRIZDKLH-UHFFFAOYSA-N
XLogP-0.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-methoxy-2-piperazin-1-ylpyrimidine (CID 11480987) is 4-methoxy-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-methoxy-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-methoxy-2-piperazin-1-ylpyrimidine is COc1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-methoxy-2-piperazin-1-ylpyrimidine?
The InChIKey is UWNRWWIRIZDKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3.
What are the key properties of 4-methoxy-2-piperazin-1-ylpyrimidine?
4-methoxy-2-piperazin-1-ylpyrimidine has a molecular weight of 194.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 11480987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).