4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine

C8H12N6 — CID 90792809

IUPAC4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(CN=[N+]=[N-])nc(N)n1
InChIInChI=1S/C8H12N6/c1-5(2)7-3-6(4-11-14-10)12-8(9)13-7/h3,5H,4H2,1-2H3,(H2,9,12,13)
InChIKeyFZJQGHPMLVXIIL-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.99
Rot. Bonds3

About 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine

4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 90792809) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID90792809
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(CN=[N+]=[N-])nc(N)n1
InChIInChI=1S/C8H12N6/c1-5(2)7-3-6(4-11-14-10)12-8(9)13-7/h3,5H,4H2,1-2H3,(H2,9,12,13)
InChIKeyFZJQGHPMLVXIIL-UHFFFAOYSA-N
XLogP1.99
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.99
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 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine (CID 90792809) is 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(CN=[N+]=[N-])nc(N)n1.
What is the InChIKey of 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is FZJQGHPMLVXIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-5(2)7-3-6(4-11-14-10)12-8(9)13-7/h3,5H,4H2,1-2H3,(H2,9,12,13).
What are the key properties of 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine?
4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 192.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 90792809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).