5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136978862

IUPAC5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C10H16N4O2/c1-11-7-3-4-14(5-7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZVJFQVUKBIVBQS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds3

About 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136978862) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136978862
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C10H16N4O2/c1-11-7-3-4-14(5-7)9-8(16-2)10(15)13-6-12-9/h6-7,11H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyZVJFQVUKBIVBQS-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 137009944
5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958209
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
4-[3-(ethylaminomethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007892
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136978862) is 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one is CNC1CCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZVJFQVUKBIVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-11-7-3-4-14(5-7)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-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).