methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane

C6H7IN2 — CID 144727294

IUPACmethylidene-(2-methylpyrimidin-5-yl)-λ3-iodane
SMILESC=Ic1cnc(C)nc1
InChIInChI=1S/C6H7IN2/c1-5-8-3-6(7-2)4-9-5/h3-4H,2H2,1H3
InChIKeyZSBMQCXSABOUJW-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.36
Rot. Bonds1

About methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane

methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane (PubChem CID 144727294) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane.

Molecular Properties

Compound Namemethylidene-(2-methylpyrimidin-5-yl)-λ3-iodane
PubChem CID144727294
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Namemethylidene-(2-methylpyrimidin-5-yl)-λ3-iodane
SMILESC=Ic1cnc(C)nc1
InChIInChI=1S/C6H7IN2/c1-5-8-3-6(7-2)4-9-5/h3-4H,2H2,1H3
InChIKeyZSBMQCXSABOUJW-UHFFFAOYSA-N
XLogP1.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine
CID 9260
4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2-Methylpyrimidin-4-amine
CID 295763
2,5-Dimethylpyrimidin-4-Amine
CID 445779
2-Cyanopyrimidine
CID 2757979
5-Fluoropyrimidine
CID 69605
5-Methylpyrimidine
CID 74859
5-Iodopyrimidine
CID 1201421
5-Methylpyrimidin-4-amine
CID 21719209
2-Amino-5-iodopyrimidine
CID 241102
2-Iodopyrimidine
CID 11356200
2-Ethynylpyrimidine
CID 12441297

Frequently Asked Questions

What is the IUPAC name of methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane?
The IUPAC name of methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane (CID 144727294) is methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane.
What is the SMILES notation for methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane?
The canonical SMILES for methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane is C=Ic1cnc(C)nc1.
What is the InChIKey of methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane?
The InChIKey is ZSBMQCXSABOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c1-5-8-3-6(7-2)4-9-5/h3-4H,2H2,1H3.
What are the key properties of methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane?
methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane has a molecular weight of 234.04 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-(2-methylpyrimidin-5-yl)-λ3-iodane is sourced from PubChem (CID 144727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).