N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide

C13H13IN4O — CID 17475151

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccccc2I)n1
InChIInChI=1S/C13H13IN4O/c1-8-7-9(2)16-13(15-8)18-17-12(19)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyPJOYNSCNJMNPFR-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.45
Rot. Bonds3

About N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide (PubChem CID 17475151) has the molecular formula C13H13IN4O and a molecular weight of 368.18 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide
PubChem CID17475151
Molecular FormulaC13H13IN4O
Molecular Weight368.18 g/mol
Exact Mass368.01
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccccc2I)n1
InChIInChI=1S/C13H13IN4O/c1-8-7-9(2)16-13(15-8)18-17-12(19)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyPJOYNSCNJMNPFR-UHFFFAOYSA-N
XLogP2.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide (CID 17475151) is N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide is Cc1cc(C)nc(NNC(=O)c2ccccc2I)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide?
The InChIKey is PJOYNSCNJMNPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O/c1-8-7-9(2)16-13(15-8)18-17-12(19)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide has a molecular weight of 368.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-iodobenzohydrazide is sourced from PubChem (CID 17475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).