5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one

C9H14N4O2 — CID 136958151

IUPAC5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOc1c(N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-15-7-8(11-6-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyKKRDXADHCJFFIC-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.81
Rot. Bonds2

About 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one

5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136958151) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136958151
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOc1c(N2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-15-7-8(11-6-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyKKRDXADHCJFFIC-UHFFFAOYSA-N
XLogP-0.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one (CID 136958151) is 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one is COc1c(N2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is KKRDXADHCJFFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-7-8(11-6-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one?
5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).