2-iodopyrimido[5,4-d]pyrimidine

C6H3IN4 — CID 90082580

IUPAC2-iodopyrimido[5,4-d]pyrimidine
SMILESIc1ncc2ncncc2n1
InChIInChI=1S/C6H3IN4/c7-6-9-2-4-5(11-6)1-8-3-10-4/h1-3H
InChIKeyLMYUKNAGOGUNIU-UHFFFAOYSA-N
MW258.02 g/mol
LogP1.02
Rot. Bonds

About 2-iodopyrimido[5,4-d]pyrimidine

2-iodopyrimido[5,4-d]pyrimidine (PubChem CID 90082580) has the molecular formula C6H3IN4 and a molecular weight of 258.02 g/mol. Its IUPAC name is 2-iodopyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-iodopyrimido[5,4-d]pyrimidine
PubChem CID90082580
Molecular FormulaC6H3IN4
Molecular Weight258.02 g/mol
Exact Mass257.94
IUPAC Name2-iodopyrimido[5,4-d]pyrimidine
SMILESIc1ncc2ncncc2n1
InChIInChI=1S/C6H3IN4/c7-6-9-2-4-5(11-6)1-8-3-10-4/h1-3H
InChIKeyLMYUKNAGOGUNIU-UHFFFAOYSA-N
XLogP1.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.02
LogP ≤ 51.02
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 2-iodopyrimido[5,4-d]pyrimidine?
The IUPAC name of 2-iodopyrimido[5,4-d]pyrimidine (CID 90082580) is 2-iodopyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2-iodopyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2-iodopyrimido[5,4-d]pyrimidine is Ic1ncc2ncncc2n1.
What is the InChIKey of 2-iodopyrimido[5,4-d]pyrimidine?
The InChIKey is LMYUKNAGOGUNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3IN4/c7-6-9-2-4-5(11-6)1-8-3-10-4/h1-3H.
What are the key properties of 2-iodopyrimido[5,4-d]pyrimidine?
2-iodopyrimido[5,4-d]pyrimidine has a molecular weight of 258.02 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 90082580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).