4-chloro-6-phenylselenopheno[3,2-d]pyrimidine

C12H7ClN2Se — CID 102287949

IUPAC4-chloro-6-phenylselenopheno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccccc3)[se]c12
InChIInChI=1S/C12H7ClN2Se/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKeyCQFWIGDGGKWSPR-UHFFFAOYSA-N
MW293.62 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine

4-chloro-6-phenylselenopheno[3,2-d]pyrimidine (PubChem CID 102287949) has the molecular formula C12H7ClN2Se and a molecular weight of 293.62 g/mol. Its IUPAC name is 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenylselenopheno[3,2-d]pyrimidine
PubChem CID102287949
Molecular FormulaC12H7ClN2Se
Molecular Weight293.62 g/mol
Exact Mass293.95
IUPAC Name4-chloro-6-phenylselenopheno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccccc3)[se]c12
InChIInChI=1S/C12H7ClN2Se/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H
InChIKeyCQFWIGDGGKWSPR-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine (CID 102287949) is 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine is Clc1ncnc2cc(-c3ccccc3)[se]c12.
What is the InChIKey of 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine?
The InChIKey is CQFWIGDGGKWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2Se/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine?
4-chloro-6-phenylselenopheno[3,2-d]pyrimidine has a molecular weight of 293.62 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylselenopheno[3,2-d]pyrimidine is sourced from PubChem (CID 102287949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).