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

C9H11N3O2 — CID 130927734

IUPAC3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESO=C1CC(Cn2cnccc2=O)CN1
InChIInChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)5-12-6-10-2-1-9(12)14/h1-2,6-7H,3-5H2,(H,11,13)
InChIKeyIGWMAVDZNPZBPA-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.62
Rot. Bonds2

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

3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 130927734) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
PubChem CID130927734
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESO=C1CC(Cn2cnccc2=O)CN1
InChIInChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)5-12-6-10-2-1-9(12)14/h1-2,6-7H,3-5H2,(H,11,13)
InChIKeyIGWMAVDZNPZBPA-UHFFFAOYSA-N
XLogP-0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 63769704
3-[2-Methyl-3-(methylamino)propyl]pyrimidin-4-one
CID 64231271
5-Iodo-3-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 66308860
N-methyl-4-(6-oxopyrimidin-1-yl)butanamide
CID 116622738
3-[(1-Methyl-5-oxopyrrolidin-3-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126857506
3-({1-[(5-Oxopyrrolidin-3-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944991
6-Chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 131172147
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168501500
4-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502746
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168657080
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168658313

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one (CID 130927734) is 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one is O=C1CC(Cn2cnccc2=O)CN1.
What is the InChIKey of 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is IGWMAVDZNPZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-3-7(4-11-8)5-12-6-10-2-1-9(12)14/h1-2,6-7H,3-5H2,(H,11,13).
What are the key properties of 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one?
3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 193.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 130927734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).