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

C9H13IN4O2 — CID 66341581

IUPAC4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1ncn(CCCC(=O)NN)c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15)
InChIKeyUWKDTRKHJKYXSK-UHFFFAOYSA-N
MW336.13 g/mol
LogP-0.07
Rot. Bonds4

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

4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 66341581) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID66341581
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1ncn(CCCC(=O)NN)c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15)
InChIKeyUWKDTRKHJKYXSK-UHFFFAOYSA-N
XLogP-0.07
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 5-0.07
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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Related Compounds

4-(4-Methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63571506
4-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 66310698
4-(5-Iodo-6-oxopyrimidin-1-yl)butanehydrazide
CID 66310791
2-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66340897
6-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66340898
3-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 66340899
2-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 66341127
4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 66341327
4-(5-Iodo-2-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 66341405
5-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)pentanehydrazide
CID 66342239
4-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 79374767
3-(5-Iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630428

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide (CID 66341581) is 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is Cc1ncn(CCCC(=O)NN)c(=O)c1I.
What is the InChIKey of 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is UWKDTRKHJKYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-6-8(10)9(16)14(5-12-6)4-2-3-7(15)13-11/h5H,2-4,11H2,1H3,(H,13,15).
What are the key properties of 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide?
4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 336.13 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 66341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).