4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one

C11H9ClN6OS — CID 168658200

IUPAC4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nc(Cl)nc3ccsc23)C1
InChIInChI=1S/C11H9ClN6OS/c12-11-15-7-1-2-20-9(7)10(16-11)18-5-6(3-8(18)19)4-14-17-13/h1-2,6H,3-5H2
InChIKeyFVHIKVIRLAMZDA-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.01
Rot. Bonds3

About 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168658200) has the molecular formula C11H9ClN6OS and a molecular weight of 308.75 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168658200
Molecular FormulaC11H9ClN6OS
Molecular Weight308.75 g/mol
Exact Mass308.02
IUPAC Name4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2nc(Cl)nc3ccsc23)C1
InChIInChI=1S/C11H9ClN6OS/c12-11-15-7-1-2-20-9(7)10(16-11)18-5-6(3-8(18)19)4-14-17-13/h1-2,6H,3-5H2
InChIKeyFVHIKVIRLAMZDA-UHFFFAOYSA-N
XLogP3.01
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168657546
4-(azidomethyl)-1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-2-one
CID 168658560
4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168657003
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(azidomethyl)pyrrolidin-2-one
CID 168658502
4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one
CID 168656260
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168657098

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one (CID 168658200) is 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2nc(Cl)nc3ccsc23)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is FVHIKVIRLAMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6OS/c12-11-15-7-1-2-20-9(7)10(16-11)18-5-6(3-8(18)19)4-14-17-13/h1-2,6H,3-5H2.
What are the key properties of 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 308.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-chlorothieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168658200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).