4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

C10H16N4O2 — CID 135629231

IUPAC4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C10H16N4O2/c1-16-7-8-6-9(15)13-10(12-8)14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyNWLQAACGQGSCGM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.67
Rot. Bonds3

About 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 135629231) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID135629231
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C10H16N4O2/c1-16-7-8-6-9(15)13-10(12-8)14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyNWLQAACGQGSCGM-UHFFFAOYSA-N
XLogP-0.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 135629231) is 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(N2CCNCC2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is NWLQAACGQGSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-7-8-6-9(15)13-10(12-8)14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135629231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).