1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

C11H16N4O3 — CID 136794237

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1c(N2CCC(C)(C(N)=O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-11(10(12)17)3-4-15(5-11)8-7(18-2)9(16)14-6-13-8/h6H,3-5H2,1-2H3,(H2,12,17)(H,13,14,16)
InChIKeyFFKJXZIIUWHNCT-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.52
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 136794237) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID136794237
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCOc1c(N2CCC(C)(C(N)=O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-11(10(12)17)3-4-15(5-11)8-7(18-2)9(16)14-6-13-8/h6H,3-5H2,1-2H3,(H2,12,17)(H,13,14,16)
InChIKeyFFKJXZIIUWHNCT-UHFFFAOYSA-N
XLogP-0.52
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.52
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
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679992
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794232
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843220
5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136876800
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876814
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136954394
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136973601
5-methoxy-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974126

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (CID 136794237) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is COc1c(N2CCC(C)(C(N)=O)C2)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is FFKJXZIIUWHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(10(12)17)3-4-15(5-11)8-7(18-2)9(16)14-6-13-8/h6H,3-5H2,1-2H3,(H2,12,17)(H,13,14,16).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136794237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).