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

C8H11IN4O2 — CID 66340721

IUPAC2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncc(I)c(=O)n1C(C)C(=O)NN
InChIInChI=1S/C8H11IN4O2/c1-4(7(14)12-10)13-5(2)11-3-6(9)8(13)15/h3-4H,10H2,1-2H3,(H,12,14)
InChIKeyPCLSCIWPWWPYQM-UHFFFAOYSA-N
MW322.11 g/mol
LogP-0.29
Rot. Bonds2

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

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide (PubChem CID 66340721) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
PubChem CID66340721
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide
SMILESCc1ncc(I)c(=O)n1C(C)C(=O)NN
InChIInChI=1S/C8H11IN4O2/c1-4(7(14)12-10)13-5(2)11-3-6(9)8(13)15/h3-4H,10H2,1-2H3,(H,12,14)
InChIKeyPCLSCIWPWWPYQM-UHFFFAOYSA-N
XLogP-0.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide (CID 66340721) is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide is Cc1ncc(I)c(=O)n1C(C)C(=O)NN.
What is the InChIKey of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
The InChIKey is PCLSCIWPWWPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c1-4(7(14)12-10)13-5(2)11-3-6(9)8(13)15/h3-4H,10H2,1-2H3,(H,12,14).
What are the key properties of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide?
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide has a molecular weight of 322.11 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanehydrazide is sourced from PubChem (CID 66340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).