4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C9H11FN4O — CID 105023362

IUPAC4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1ncnc(NC2CNC(=O)C2)c1F
InChIInChI=1S/C9H11FN4O/c1-5-8(10)9(13-4-12-5)14-6-2-7(15)11-3-6/h4,6H,2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyKSIUZCHYTKZTRB-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.22
Rot. Bonds2

About 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 105023362) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID105023362
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1ncnc(NC2CNC(=O)C2)c1F
InChIInChI=1S/C9H11FN4O/c1-5-8(10)9(13-4-12-5)14-6-2-7(15)11-3-6/h4,6H,2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyKSIUZCHYTKZTRB-UHFFFAOYSA-N
XLogP0.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 105023362) is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1ncnc(NC2CNC(=O)C2)c1F.
What is the InChIKey of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is KSIUZCHYTKZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-5-8(10)9(13-4-12-5)14-6-2-7(15)11-3-6/h4,6H,2-3H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 210.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 105023362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).