4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one

C10H10BrClN6O — CID 168657003

IUPAC4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1nc(N2CC(CN=[N+]=[N-])CC2=O)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN6O/c1-5-8(11)9(12)16-10(15-5)18-4-6(2-7(18)19)3-14-17-13/h6H,2-4H2,1H3
InChIKeyFKSUGMNPUCJLGU-UHFFFAOYSA-N
MW345.59 g/mol
LogP2.86
Rot. Bonds3

About 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168657003) has the molecular formula C10H10BrClN6O and a molecular weight of 345.59 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168657003
Molecular FormulaC10H10BrClN6O
Molecular Weight345.59 g/mol
Exact Mass343.98
IUPAC Name4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1nc(N2CC(CN=[N+]=[N-])CC2=O)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN6O/c1-5-8(11)9(12)16-10(15-5)18-4-6(2-7(18)19)3-14-17-13/h6H,2-4H2,1H3
InChIKeyFKSUGMNPUCJLGU-UHFFFAOYSA-N
XLogP2.86
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.59
LogP ≤ 52.86
H-Bond Donors ≤ 50
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-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-2-one
CID 168658560
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671847
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168656638
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
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
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168656790

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one (CID 168657003) is 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one is Cc1nc(N2CC(CN=[N+]=[N-])CC2=O)nc(Cl)c1Br.
What is the InChIKey of 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is FKSUGMNPUCJLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN6O/c1-5-8(11)9(12)16-10(15-5)18-4-6(2-7(18)19)3-14-17-13/h6H,2-4H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 345.59 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168657003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).