2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole

C7H5IN4O — CID 131029013

IUPAC2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
SMILESCc1nccc(-c2nnc(I)o2)n1
InChIInChI=1S/C7H5IN4O/c1-4-9-3-2-5(10-4)6-11-12-7(8)13-6/h2-3H,1H3
InChIKeyWURZRCOJQKOWAD-UHFFFAOYSA-N
MW288.05 g/mol
LogP1.44
Rot. Bonds1

About 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole

2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole (PubChem CID 131029013) has the molecular formula C7H5IN4O and a molecular weight of 288.05 g/mol. Its IUPAC name is 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
PubChem CID131029013
Molecular FormulaC7H5IN4O
Molecular Weight288.05 g/mol
Exact Mass287.95
IUPAC Name2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
SMILESCc1nccc(-c2nnc(I)o2)n1
InChIInChI=1S/C7H5IN4O/c1-4-9-3-2-5(10-4)6-11-12-7(8)13-6/h2-3H,1H3
InChIKeyWURZRCOJQKOWAD-UHFFFAOYSA-N
XLogP1.44
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771551
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
4-(2-methylpyrimidin-4-yl)benzoyl chloride
CID 22329712
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole
CID 143414477
N-[4-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]methanimine
CID 145104957
2-iodo-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 70825869

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole (CID 131029013) is 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole is Cc1nccc(-c2nnc(I)o2)n1.
What is the InChIKey of 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is WURZRCOJQKOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4O/c1-4-9-3-2-5(10-4)6-11-12-7(8)13-6/h2-3H,1H3.
What are the key properties of 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole?
2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 288.05 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 131029013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).