1-(3-azidopropyl)-5-methylpyrimidin-2-one

C8H11N5O — CID 63205808

IUPAC1-(3-azidopropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCN=[N+]=[N-])c1
InChIInChI=1S/C8H11N5O/c1-7-5-10-8(14)13(6-7)4-2-3-11-12-9/h5-6H,2-4H2,1H3
InChIKeyJEPZVYVPDALHTD-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.25
Rot. Bonds4

About 1-(3-azidopropyl)-5-methylpyrimidin-2-one

1-(3-azidopropyl)-5-methylpyrimidin-2-one (PubChem CID 63205808) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(3-azidopropyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-azidopropyl)-5-methylpyrimidin-2-one
PubChem CID63205808
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name1-(3-azidopropyl)-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCN=[N+]=[N-])c1
InChIInChI=1S/C8H11N5O/c1-7-5-10-8(14)13(6-7)4-2-3-11-12-9/h5-6H,2-4H2,1H3
InChIKeyJEPZVYVPDALHTD-UHFFFAOYSA-N
XLogP1.25
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 1-(3-azidopropyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(3-azidopropyl)-5-methylpyrimidin-2-one (CID 63205808) is 1-(3-azidopropyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-azidopropyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-azidopropyl)-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCCN=[N+]=[N-])c1.
What is the InChIKey of 1-(3-azidopropyl)-5-methylpyrimidin-2-one?
The InChIKey is JEPZVYVPDALHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-7-5-10-8(14)13(6-7)4-2-3-11-12-9/h5-6H,2-4H2,1H3.
What are the key properties of 1-(3-azidopropyl)-5-methylpyrimidin-2-one?
1-(3-azidopropyl)-5-methylpyrimidin-2-one has a molecular weight of 193.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63205808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).