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

C11H14N6O2 — CID 168656175

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H14N6O2/c1-2-8-4-9(18)15-11(14-8)17-6-7(3-10(17)19)5-13-16-12/h4,7H,2-3,5-6H2,1H3,(H,14,15,18)
InChIKeyFRACVPJVLJOAKD-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.00
Rot. Bonds4

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

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 168656175) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID168656175
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C11H14N6O2/c1-2-8-4-9(18)15-11(14-8)17-6-7(3-10(17)19)5-13-16-12/h4,7H,2-3,5-6H2,1H3,(H,14,15,18)
InChIKeyFRACVPJVLJOAKD-UHFFFAOYSA-N
XLogP1.00
TPSA114.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.00
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

4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168504648
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
CID 168656152
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168655876
4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168506064
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one (CID 168656175) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N2CC(CN=[N+]=[N-])CC2=O)n1.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is FRACVPJVLJOAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-8-4-9(18)15-11(14-8)17-6-7(3-10(17)19)5-13-16-12/h4,7H,2-3,5-6H2,1H3,(H,14,15,18).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 262.27 g/mol, XLogP of 1.00, 4 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]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 168656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).