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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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
4-(ethylsulfanylmethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136925290
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
4-(difluoromethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
CID 155941200
4-(chloromethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978506
2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 136571000
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-(4-aminopiperidin-1-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136740823
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 163329753
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209

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).