2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C10H9N5O — CID 55136342

IUPAC2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN=[N+]=[N-])cc(=O)n2c1
InChIInChI=1S/C10H9N5O/c1-7-2-3-9-13-8(5-12-14-11)4-10(16)15(9)6-7/h2-4,6H,5H2,1H3
InChIKeySHNGGPGOBCBEGA-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.81
Rot. Bonds2

About 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 55136342) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID55136342
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN=[N+]=[N-])cc(=O)n2c1
InChIInChI=1S/C10H9N5O/c1-7-2-3-9-13-8(5-12-14-11)4-10(16)15(9)6-7/h2-4,6H,5H2,1H3
InChIKeySHNGGPGOBCBEGA-UHFFFAOYSA-N
XLogP1.81
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.81
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

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
7-Methyl-2-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2439152
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 2434823
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3053745

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 55136342) is 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN=[N+]=[N-])cc(=O)n2c1.
What is the InChIKey of 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SHNGGPGOBCBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-7-2-3-9-13-8(5-12-14-11)4-10(16)15(9)6-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55136342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).