5-(azidomethyl)-2-methylpyrimidin-4-amine

C6H8N6 — CID 71372702

IUPAC5-(azidomethyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(CN=[N+]=[N-])c(N)n1
InChIInChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)
InChIKeyHRZOZFYDZBEQQQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.18
Rot. Bonds2

About 5-(azidomethyl)-2-methylpyrimidin-4-amine

5-(azidomethyl)-2-methylpyrimidin-4-amine (PubChem CID 71372702) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(azidomethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(azidomethyl)-2-methylpyrimidin-4-amine
PubChem CID71372702
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5-(azidomethyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(CN=[N+]=[N-])c(N)n1
InChIInChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)
InChIKeyHRZOZFYDZBEQQQ-UHFFFAOYSA-N
XLogP1.18
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(azidomethyl)-2-methylpyrimidin-4-amine (CID 71372702) is 5-(azidomethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(azidomethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(azidomethyl)-2-methylpyrimidin-4-amine is Cc1ncc(CN=[N+]=[N-])c(N)n1.
What is the InChIKey of 5-(azidomethyl)-2-methylpyrimidin-4-amine?
The InChIKey is HRZOZFYDZBEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11).
What are the key properties of 5-(azidomethyl)-2-methylpyrimidin-4-amine?
5-(azidomethyl)-2-methylpyrimidin-4-amine has a molecular weight of 164.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 71372702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).