4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one

C11H15FN4O2 — CID 131950869

IUPAC4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1nc(NCC2CC(=O)N(C)C2)ncc1F
InChIInChI=1S/C11H15FN4O2/c1-16-6-7(3-9(16)17)4-13-11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyUJCPIDMLLXVZMP-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.51
Rot. Bonds4

About 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one

4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 131950869) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one
PubChem CID131950869
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1nc(NCC2CC(=O)N(C)C2)ncc1F
InChIInChI=1S/C11H15FN4O2/c1-16-6-7(3-9(16)17)4-13-11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyUJCPIDMLLXVZMP-UHFFFAOYSA-N
XLogP0.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one (CID 131950869) is 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one is COc1nc(NCC2CC(=O)N(C)C2)ncc1F.
What is the InChIKey of 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is UJCPIDMLLXVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-16-6-7(3-9(16)17)4-13-11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one?
4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 254.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 131950869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).