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

C9H11ClN4O2 — CID 168509386

IUPAC2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CC(CCl)CC2=O)cc(=O)[nH]1
InChIInChI=1S/C9H11ClN4O2/c10-3-5-1-8(16)14(4-5)6-2-7(15)13-9(11)12-6/h2,5H,1,3-4H2,(H3,11,12,13,15)
InChIKeyBOESWKDULDISOL-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.06
Rot. Bonds2

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

2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 168509386) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID168509386
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CC(CCl)CC2=O)cc(=O)[nH]1
InChIInChI=1S/C9H11ClN4O2/c10-3-5-1-8(16)14(4-5)6-2-7(15)13-9(11)12-6/h2,5H,1,3-4H2,(H3,11,12,13,15)
InChIKeyBOESWKDULDISOL-UHFFFAOYSA-N
XLogP-0.06
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-[4-(chloromethyl)-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

6-Chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 131172147
2-amino-4-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502745
4-chloro-2-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502988
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloro-1H-pyrimidin-6-one
CID 168506307
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 168507027
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 168507227
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 168507630
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168507969
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168508144
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 168508145
5-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168509246
4-amino-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168509385

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 168509386) is 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CC(CCl)CC2=O)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BOESWKDULDISOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-3-5-1-8(16)14(4-5)6-2-7(15)13-9(11)12-6/h2,5H,1,3-4H2,(H3,11,12,13,15).
What are the key properties of 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 242.67 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 168509386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).