4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine

C8H4ClIN4 — CID 66292658

IUPAC4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
SMILESClc1nc(-c2cnccn2)ncc1I
InChIInChI=1S/C8H4ClIN4/c9-7-5(10)3-13-8(14-7)6-4-11-1-2-12-6/h1-4H
InChIKeyFDSMIEWYPZRRRQ-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.19
Rot. Bonds1

About 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine

4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine (PubChem CID 66292658) has the molecular formula C8H4ClIN4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
PubChem CID66292658
Molecular FormulaC8H4ClIN4
Molecular Weight318.51 g/mol
Exact Mass317.92
IUPAC Name4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
SMILESClc1nc(-c2cnccn2)ncc1I
InChIInChI=1S/C8H4ClIN4/c9-7-5(10)3-13-8(14-7)6-4-11-1-2-12-6/h1-4H
InChIKeyFDSMIEWYPZRRRQ-UHFFFAOYSA-N
XLogP2.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.19
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-chloro-5-iodo-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine (CID 66292658) is 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine is Clc1nc(-c2cnccn2)ncc1I.
What is the InChIKey of 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine?
The InChIKey is FDSMIEWYPZRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN4/c9-7-5(10)3-13-8(14-7)6-4-11-1-2-12-6/h1-4H.
What are the key properties of 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine?
4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine has a molecular weight of 318.51 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 66292658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).