5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide

C10H15IN4O2 — CID 66342070

IUPAC5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1ncc(I)c(=O)n1CCCCC(=O)NN
InChIInChI=1S/C10H15IN4O2/c1-7-13-6-8(11)10(17)15(7)5-3-2-4-9(16)14-12/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyZPLYWNJEBKTMAC-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.32
Rot. Bonds5

About 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide

5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 66342070) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID66342070
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESCc1ncc(I)c(=O)n1CCCCC(=O)NN
InChIInChI=1S/C10H15IN4O2/c1-7-13-6-8(11)10(17)15(7)5-3-2-4-9(16)14-12/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyZPLYWNJEBKTMAC-UHFFFAOYSA-N
XLogP0.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.32
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 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide (CID 66342070) is 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is Cc1ncc(I)c(=O)n1CCCCC(=O)NN.
What is the InChIKey of 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is ZPLYWNJEBKTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-7-13-6-8(11)10(17)15(7)5-3-2-4-9(16)14-12/h6H,2-5,12H2,1H3,(H,14,16).
What are the key properties of 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide?
5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 350.16 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 66342070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).