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

C9H10ClN3O2 — CID 131172147

IUPAC6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESO=C1CC(Cn2cnc(Cl)cc2=O)CN1
InChIInChI=1S/C9H10ClN3O2/c10-7-2-9(15)13(5-12-7)4-6-1-8(14)11-3-6/h2,5-6H,1,3-4H2,(H,11,14)
InChIKeyOMJUWEDQEOLXNF-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.03
Rot. Bonds2

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

6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 131172147) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
PubChem CID131172147
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESO=C1CC(Cn2cnc(Cl)cc2=O)CN1
InChIInChI=1S/C9H10ClN3O2/c10-7-2-9(15)13(5-12-7)4-6-1-8(14)11-3-6/h2,5-6H,1,3-4H2,(H,11,14)
InChIKeyOMJUWEDQEOLXNF-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 63769704
4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114582283
3-[(5-Oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 130927734
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794217
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233
4-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502746
4-chloro-2-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502988
2-amino-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168509386
4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168509387
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168658313
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-chloro-1H-pyrimidin-6-one
CID 168658554
4-amino-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (CID 131172147) is 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one is O=C1CC(Cn2cnc(Cl)cc2=O)CN1.
What is the InChIKey of 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is OMJUWEDQEOLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-2-9(15)13(5-12-7)4-6-1-8(14)11-3-6/h2,5-6H,1,3-4H2,(H,11,14).
What are the key properties of 6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 227.65 g/mol, XLogP of 0.03, 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-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 131172147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).