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

C9H11BrN4O — CID 106192229

IUPAC4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nc(Br)cc(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H11BrN4O/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)
InChIKeyPMEYOXRCKROFCF-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.85
Rot. Bonds2

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

4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106192229) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106192229
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nc(Br)cc(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H11BrN4O/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)
InChIKeyPMEYOXRCKROFCF-UHFFFAOYSA-N
XLogP0.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 103952551
6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine
CID 106196109
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrrolidin-2-one
CID 106191948
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157084
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192216
4-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157150
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
4-[(6-ethoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192160
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106192229) is 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1nc(Br)cc(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is PMEYOXRCKROFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/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-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 271.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106192229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).