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

C12H20N4O2 — CID 136876800

IUPAC5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H20N4O2/c1-12(6-13-2)4-5-16(7-12)10-9(18-3)11(17)15-8-14-10/h8,13H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyIEZBDQKXUXNKNK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.21
Rot. Bonds4

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

5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136876800) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136876800
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H20N4O2/c1-12(6-13-2)4-5-16(7-12)10-9(18-3)11(17)15-8-14-10/h8,13H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyIEZBDQKXUXNKNK-UHFFFAOYSA-N
XLogP0.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974114
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241428
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706904
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794232
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794237
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843220

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136876800) is 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is CNCC1(C)CCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is IEZBDQKXUXNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(6-13-2)4-5-16(7-12)10-9(18-3)11(17)15-8-14-10/h8,13H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136876800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).