4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one

C9H11BrN4O2 — CID 168506064

IUPAC4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C9H11BrN4O2/c10-3-5-1-8(16)14(4-5)9-12-6(11)2-7(15)13-9/h2,5H,1,3-4H2,(H3,11,12,13,15)
InChIKeyCJJHHUAXIBNGBT-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.10
Rot. Bonds2

About 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one

4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 168506064) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID168506064
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C9H11BrN4O2/c10-3-5-1-8(16)14(4-5)9-12-6(11)2-7(15)13-9/h2,5H,1,3-4H2,(H3,11,12,13,15)
InChIKeyCJJHHUAXIBNGBT-UHFFFAOYSA-N
XLogP0.10
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168504648
4-(bromomethyl)-1-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168504311
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168506181
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 168656175
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 168661390
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
1-(3-amino-5-bromo-6-methyl-2-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504536
4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one
CID 168506236
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 168506064) is 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(N2CC(CBr)CC2=O)n1.
What is the InChIKey of 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CJJHHUAXIBNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c10-3-5-1-8(16)14(4-5)9-12-6(11)2-7(15)13-9/h2,5H,1,3-4H2,(H3,11,12,13,15).
What are the key properties of 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 287.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 168506064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).