6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide

C10H15IN4O2 — CID 66308881

IUPAC6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN4O2/c11-8-6-13-7-15(10(8)17)5-3-1-2-4-9(16)14-12/h6-7H,1-5,12H2,(H,14,16)
InChIKeyUQXQXSZJXCDYFZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.40
Rot. Bonds6

About 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide

6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide (PubChem CID 66308881) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide
PubChem CID66308881
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1cncc(I)c1=O
InChIInChI=1S/C10H15IN4O2/c11-8-6-13-7-15(10(8)17)5-3-1-2-4-9(16)14-12/h6-7H,1-5,12H2,(H,14,16)
InChIKeyUQXQXSZJXCDYFZ-UHFFFAOYSA-N
XLogP0.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide?
The IUPAC name of 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide (CID 66308881) is 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide?
The canonical SMILES for 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide is NNC(=O)CCCCCn1cncc(I)c1=O.
What is the InChIKey of 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide?
The InChIKey is UQXQXSZJXCDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c11-8-6-13-7-15(10(8)17)5-3-1-2-4-9(16)14-12/h6-7H,1-5,12H2,(H,14,16).
What are the key properties of 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide?
6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide has a molecular weight of 350.16 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-iodo-6-oxopyrimidin-1-yl)hexanehydrazide is sourced from PubChem (CID 66308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).