5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine

C14H9BrN2S — CID 90682854

IUPAC5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine
SMILESBrc1cncnc1-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H9BrN2S/c15-11-8-16-9-17-14(11)13-7-6-12(18-13)10-4-2-1-3-5-10/h1-9H
InChIKeyFLCSBBNUPYWHSS-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.63
Rot. Bonds2

About 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine

5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine (PubChem CID 90682854) has the molecular formula C14H9BrN2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine
PubChem CID90682854
Molecular FormulaC14H9BrN2S
Molecular Weight317.21 g/mol
Exact Mass315.97
IUPAC Name5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine
SMILESBrc1cncnc1-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H9BrN2S/c15-11-8-16-9-17-14(11)13-7-6-12(18-13)10-4-2-1-3-5-10/h1-9H
InChIKeyFLCSBBNUPYWHSS-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine (CID 90682854) is 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine is Brc1cncnc1-c1ccc(-c2ccccc2)s1.
What is the InChIKey of 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine?
The InChIKey is FLCSBBNUPYWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2S/c15-11-8-16-9-17-14(11)13-7-6-12(18-13)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine?
5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine has a molecular weight of 317.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-phenylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 90682854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).