3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

C10H15IN4O2 — CID 79630428

IUPAC3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCc1ncn(CC(C)(C)C(=O)NN)c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6-7(11)8(16)15(5-13-6)4-10(2,3)9(17)14-12/h5H,4,12H2,1-3H3,(H,14,17)
InChIKeyOKSPNRAPKBTDLZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.17
Rot. Bonds3

About 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide

3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79630428) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79630428
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCc1ncn(CC(C)(C)C(=O)NN)c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6-7(11)8(16)15(5-13-6)4-10(2,3)9(17)14-12/h5H,4,12H2,1-3H3,(H,14,17)
InChIKeyOKSPNRAPKBTDLZ-UHFFFAOYSA-N
XLogP0.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.17
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 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide (CID 79630428) is 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is Cc1ncn(CC(C)(C)C(=O)NN)c(=O)c1I.
What is the InChIKey of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is OKSPNRAPKBTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-6-7(11)8(16)15(5-13-6)4-10(2,3)9(17)14-12/h5H,4,12H2,1-3H3,(H,14,17).
What are the key properties of 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 350.16 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).