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

C9H11ClN4O — CID 103952551

IUPAC4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nc(Cl)cc(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H11ClN4O/c1-5-12-7(10)3-8(13-5)14-6-2-9(15)11-4-6/h3,6H,2,4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyQXAHPEQYXGFYKV-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.74
Rot. Bonds2

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

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 103952551) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID103952551
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nc(Cl)cc(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H11ClN4O/c1-5-12-7(10)3-8(13-5)14-6-2-9(15)11-4-6/h3,6H,2,4H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyQXAHPEQYXGFYKV-UHFFFAOYSA-N
XLogP0.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 103952551) is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1nc(Cl)cc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is QXAHPEQYXGFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-5-12-7(10)3-8(13-5)14-6-2-9(15)11-4-6/h3,6H,2,4H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 226.67 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 103952551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).