5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O2 — CID 137008133

IUPAC5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCNCC2C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-5-11-3-4-14(7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyNEVPECZFQGZSOX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds2

About 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008133) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID137008133
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCNCC2C)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-5-11-3-4-14(7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyNEVPECZFQGZSOX-UHFFFAOYSA-N
XLogP-0.42
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136989767
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008211
5-methoxy-1-(2-methylpiperazin-1-yl)isoquinoline
CID 106542347
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 137015946
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
5-methoxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 137009772
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
CID 162079828
4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136978340
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 137008133) is 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCNCC2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NEVPECZFQGZSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-5-11-3-4-14(7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).