4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one

C10H12ClN7O — CID 168656260

IUPAC4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one
SMILESCNc1ncnc(Cl)c1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H12ClN7O/c1-13-10-8(9(11)14-5-15-10)18-4-6(2-7(18)19)3-16-17-12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyUQJUGUFPWBBZCC-UHFFFAOYSA-N
MW281.71 g/mol
LogP1.83
Rot. Bonds4

About 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one

4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one (PubChem CID 168656260) has the molecular formula C10H12ClN7O and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one
PubChem CID168656260
Molecular FormulaC10H12ClN7O
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one
SMILESCNc1ncnc(Cl)c1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H12ClN7O/c1-13-10-8(9(11)14-5-15-10)18-4-6(2-7(18)19)3-16-17-12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyUQJUGUFPWBBZCC-UHFFFAOYSA-N
XLogP1.83
TPSA106.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
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

methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-6-(methylamino)pyridine-3-carboxylate
CID 168656250
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
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-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-(5-bromo-4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168657003
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 168656242
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168656638
4-(azidomethyl)-1-[4-bromo-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656251

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one (CID 168656260) is 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one is CNc1ncnc(Cl)c1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one?
The InChIKey is UQJUGUFPWBBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O/c1-13-10-8(9(11)14-5-15-10)18-4-6(2-7(18)19)3-16-17-12/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one?
4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one has a molecular weight of 281.71 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[4-chloro-6-(methylamino)pyrimidin-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 168656260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).