4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide

C8H11IN4O2 — CID 66310791

IUPAC4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cncc(I)c1=O
InChIInChI=1S/C8H11IN4O2/c9-6-4-11-5-13(8(6)15)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H,12,14)
InChIKeyCIWCVYXPVBIGPP-UHFFFAOYSA-N
MW322.11 g/mol
LogP-0.38
Rot. Bonds4

About 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide

4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 66310791) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID66310791
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1cncc(I)c1=O
InChIInChI=1S/C8H11IN4O2/c9-6-4-11-5-13(8(6)15)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H,12,14)
InChIKeyCIWCVYXPVBIGPP-UHFFFAOYSA-N
XLogP-0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 5-0.38
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 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide (CID 66310791) is 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide is NNC(=O)CCCn1cncc(I)c1=O.
What is the InChIKey of 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is CIWCVYXPVBIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c9-6-4-11-5-13(8(6)15)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H,12,14).
What are the key properties of 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide?
4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 322.11 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 66310791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).