6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

C9H10ClN3O2 — CID 130517274

IUPAC6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cnc(Cl)cc2=O)N1
InChIInChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyBPVAZKTXTNYKMC-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.18
Rot. Bonds2

About 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 130517274) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID130517274
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cnc(Cl)cc2=O)N1
InChIInChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyBPVAZKTXTNYKMC-UHFFFAOYSA-N
XLogP0.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 114582279
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114582416
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956822
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957436
5-chloro-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975921
2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 137015695

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 130517274) is 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is O=C1CCC(Cn2cnc(Cl)cc2=O)N1.
What is the InChIKey of 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is BPVAZKTXTNYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 227.65 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 130517274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).