1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione

C11H15N5O3 — CID 14097525

IUPAC1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CN=[N+]=[N-])C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O3/c1-6-5-16(11(19)14-10(6)18)8-2-7(4-13-15-12)9(17)3-8/h5,7-9,17H,2-4H2,1H3,(H,14,18,19)
InChIKeyZVTKAIRGLLTGLO-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.47
Rot. Bonds3

About 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione

1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione (PubChem CID 14097525) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
PubChem CID14097525
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CN=[N+]=[N-])C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O3/c1-6-5-16(11(19)14-10(6)18)8-2-7(4-13-15-12)9(17)3-8/h5,7-9,17H,2-4H2,1H3,(H,14,18,19)
InChIKeyZVTKAIRGLLTGLO-UHFFFAOYSA-N
XLogP0.47
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione (CID 14097525) is 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CC(O)C(CN=[N+]=[N-])C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ZVTKAIRGLLTGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6-5-16(11(19)14-10(6)18)8-2-7(4-13-15-12)9(17)3-8/h5,7-9,17H,2-4H2,1H3,(H,14,18,19).
What are the key properties of 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione?
1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azidomethyl)-4-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14097525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).