1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C10H12FN3O3 — CID 168662456

IUPAC1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CO)CC2=O)n1
InChIInChI=1S/C10H12FN3O3/c1-17-10-12-3-7(11)9(13-10)14-4-6(5-15)2-8(14)16/h3,6,15H,2,4-5H2,1H3
InChIKeyZPBNFDFQNDBGSR-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.03
Rot. Bonds3

About 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662456) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662456
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CO)CC2=O)n1
InChIInChI=1S/C10H12FN3O3/c1-17-10-12-3-7(11)9(13-10)14-4-6(5-15)2-8(14)16/h3,6,15H,2,4-5H2,1H3
InChIKeyZPBNFDFQNDBGSR-UHFFFAOYSA-N
XLogP-0.03
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662456) is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one is COc1ncc(F)c(N2CC(CO)CC2=O)n1.
What is the InChIKey of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ZPBNFDFQNDBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-17-10-12-3-7(11)9(13-10)14-4-6(5-15)2-8(14)16/h3,6,15H,2,4-5H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 241.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).