2-(azidomethyl)imidazo[1,2-a]pyrimidine

C7H6N6 — CID 5192400

IUPAC2-(azidomethyl)imidazo[1,2-a]pyrimidine
SMILES[N-]=[N+]=NCc1cn2cccnc2n1
InChIInChI=1S/C7H6N6/c8-12-10-4-6-5-13-3-1-2-9-7(13)11-6/h1-3,5H,4H2
InChIKeyDOQHANASDOULKX-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.54
Rot. Bonds2

About 2-(azidomethyl)imidazo[1,2-a]pyrimidine

2-(azidomethyl)imidazo[1,2-a]pyrimidine (PubChem CID 5192400) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 2-(azidomethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(azidomethyl)imidazo[1,2-a]pyrimidine
PubChem CID5192400
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name2-(azidomethyl)imidazo[1,2-a]pyrimidine
SMILES[N-]=[N+]=NCc1cn2cccnc2n1
InChIInChI=1S/C7H6N6/c8-12-10-4-6-5-13-3-1-2-9-7(13)11-6/h1-3,5H,4H2
InChIKeyDOQHANASDOULKX-UHFFFAOYSA-N
XLogP1.54
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.54
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

Imidazo(1,2-a)pyrimidine
CID 577018
2-Methylimidazo[1,2-a]pyrimidine
CID 12323629
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
Imidazo[1,5-a]pyrimidine
CID 577096
N-ethyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)cyclohexanamine
CID 3917550
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
Imidazo(1,5-a)pyrazine
CID 292283
2-(Chloromethyl)imidazo[1,2-a]pyrimidine
CID 1417908
3-Bromoimidazo(1,2-a)pyrimidine
CID 2763871
5-(1H-pyrazol-1-yl)pyrimidine
CID 54593304
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
CID 5008895
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(azidomethyl)imidazo[1,2-a]pyrimidine (CID 5192400) is 2-(azidomethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(azidomethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(azidomethyl)imidazo[1,2-a]pyrimidine is [N-]=[N+]=NCc1cn2cccnc2n1.
What is the InChIKey of 2-(azidomethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is DOQHANASDOULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6/c8-12-10-4-6-5-13-3-1-2-9-7(13)11-6/h1-3,5H,4H2.
What are the key properties of 2-(azidomethyl)imidazo[1,2-a]pyrimidine?
2-(azidomethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 174.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 5192400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).