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

C9H13IN4O2 — CID 66310802

IUPAC5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cncc(I)c1=O
InChIInChI=1S/C9H13IN4O2/c10-7-5-12-6-14(9(7)16)4-2-1-3-8(15)13-11/h5-6H,1-4,11H2,(H,13,15)
InChIKeyYBXHGMPCWIEIHJ-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.01
Rot. Bonds5

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

5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide (PubChem CID 66310802) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide
PubChem CID66310802
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cncc(I)c1=O
InChIInChI=1S/C9H13IN4O2/c10-7-5-12-6-14(9(7)16)4-2-1-3-8(15)13-11/h5-6H,1-4,11H2,(H,13,15)
InChIKeyYBXHGMPCWIEIHJ-UHFFFAOYSA-N
XLogP0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.01
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'}

Analyze 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66340722
5-iodo-3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114476424
5-iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
3-[3-(4-aminophenyl)propyl]-5-iodopyrimidin-4-one
CID 113384371
6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66310054
5-iodo-3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
CID 66310149
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129
4-(4,5-dimethylimidazol-1-yl)butanehydrazide
CID 63577264
5-iodo-3-[2-(2-oxo-1-pyridinyl)ethyl]pyrimidin-4-one
CID 82907417
1-[2-(5-iodo-6-oxopyrimidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 66308003
3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one
CID 66310578

Frequently Asked Questions

What is the IUPAC name of 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide (CID 66310802) is 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide is NNC(=O)CCCCn1cncc(I)c1=O.
What is the InChIKey of 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide?
The InChIKey is YBXHGMPCWIEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c10-7-5-12-6-14(9(7)16)4-2-1-3-8(15)13-11/h5-6H,1-4,11H2,(H,13,15).
What are the key properties of 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide?
5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide has a molecular weight of 336.13 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide is sourced from PubChem (CID 66310802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).