(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C13H18FN3O3 — CID 124755480

IUPAC(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ncc(F)c(OC)n2)CC1=O
InChIInChI=1S/C13H18FN3O3/c1-19-4-3-17-8-9(6-12(17)18)5-11-15-7-10(14)13(16-11)20-2/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyQOGYTOBSDWJSQY-SECBINFHSA-N
MW283.30 g/mol
LogP0.66
Rot. Bonds6

About (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124755480) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124755480
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ncc(F)c(OC)n2)CC1=O
InChIInChI=1S/C13H18FN3O3/c1-19-4-3-17-8-9(6-12(17)18)5-11-15-7-10(14)13(16-11)20-2/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyQOGYTOBSDWJSQY-SECBINFHSA-N
XLogP0.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124755480) is (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Cc2ncc(F)c(OC)n2)CC1=O.
What is the InChIKey of (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is QOGYTOBSDWJSQY-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-19-4-3-17-8-9(6-12(17)18)5-11-15-7-10(14)13(16-11)20-2/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 283.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124755480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).