4-iodo-2-pyrimidin-2-ylpyrimidine

C8H5IN4 — CID 57239997

IUPAC4-iodo-2-pyrimidin-2-ylpyrimidine
SMILESIc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C8H5IN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H
InChIKeyHLWPNDATEXEFRQ-UHFFFAOYSA-N
MW284.06 g/mol
LogP1.54
Rot. Bonds1

About 4-iodo-2-pyrimidin-2-ylpyrimidine

4-iodo-2-pyrimidin-2-ylpyrimidine (PubChem CID 57239997) has the molecular formula C8H5IN4 and a molecular weight of 284.06 g/mol. Its IUPAC name is 4-iodo-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-iodo-2-pyrimidin-2-ylpyrimidine
PubChem CID57239997
Molecular FormulaC8H5IN4
Molecular Weight284.06 g/mol
Exact Mass283.96
IUPAC Name4-iodo-2-pyrimidin-2-ylpyrimidine
SMILESIc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C8H5IN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H
InChIKeyHLWPNDATEXEFRQ-UHFFFAOYSA-N
XLogP1.54
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-iodo-2-pyrimidin-2-ylpyrimidine (CID 57239997) is 4-iodo-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-iodo-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-iodo-2-pyrimidin-2-ylpyrimidine is Ic1ccnc(-c2ncccn2)n1.
What is the InChIKey of 4-iodo-2-pyrimidin-2-ylpyrimidine?
The InChIKey is HLWPNDATEXEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H.
What are the key properties of 4-iodo-2-pyrimidin-2-ylpyrimidine?
4-iodo-2-pyrimidin-2-ylpyrimidine has a molecular weight of 284.06 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 57239997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).