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

C9H10N6O2 — CID 168657080

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C9H10N6O2/c10-14-12-4-6-3-8(17)15(5-6)9-11-2-1-7(16)13-9/h1-2,6H,3-5H2,(H,11,13,16)
InChIKeyNBBFUTSXGWBWES-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds3

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

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 168657080) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID168657080
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C9H10N6O2/c10-14-12-4-6-3-8(17)15(5-6)9-11-2-1-7(16)13-9/h1-2,6H,3-5H2,(H,11,13,16)
InChIKeyNBBFUTSXGWBWES-UHFFFAOYSA-N
XLogP0.43
TPSA114.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 130927734
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-amino-2-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502744
2-amino-4-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168502745
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168504823
4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168506064
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168508144
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 168655974
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 168656570
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168656907
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 168657081

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 168657080) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is [N-]=[N+]=NCC1CC(=O)N(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NBBFUTSXGWBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-14-12-4-6-3-8(17)15(5-6)9-11-2-1-7(16)13-9/h1-2,6H,3-5H2,(H,11,13,16).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 234.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 168657080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).