5-(3-bromofuran-2-yl)pyrimidine

C8H5BrN2O — CID 146163724

IUPAC5-(3-bromofuran-2-yl)pyrimidine
SMILESBrc1ccoc1-c1cncnc1
InChIInChI=1S/C8H5BrN2O/c9-7-1-2-12-8(7)6-3-10-5-11-4-6/h1-5H
InChIKeyIKDCHWPTWHZEOW-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.50
Rot. Bonds1

About 5-(3-bromofuran-2-yl)pyrimidine

5-(3-bromofuran-2-yl)pyrimidine (PubChem CID 146163724) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-(3-bromofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(3-bromofuran-2-yl)pyrimidine
PubChem CID146163724
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-(3-bromofuran-2-yl)pyrimidine
SMILESBrc1ccoc1-c1cncnc1
InChIInChI=1S/C8H5BrN2O/c9-7-1-2-12-8(7)6-3-10-5-11-4-6/h1-5H
InChIKeyIKDCHWPTWHZEOW-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-Pyrimidinyl)-2-furancarboxaldehyde
CID 23004866
5-(Furan-2-yl)pyrimidine
CID 12356584
5-(2-Furanylmethyl)-2,4-pyrimidinediamine
CID 13058921
5-(Furan-3-yl)pyrimidine
CID 45080069
4,6-Dichloro-5-(furan-2-yl)pyrimidine
CID 134229907
2-Fluoro-5-(furan-2-yl)pyrimidine
CID 119083657
4-Bromo-5-(5-fluoro-1-benzofuran-2-yl)pyrimidine
CID 105371629
4-Bromo-5-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 105371633
5-bromo-N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796023
5-fluoro-N-[2-(furan-2-yl)ethyl]pyrimidin-2-amine
CID 115749863
2-Chloro-5-(2-furyl)pyrimidine
CID 12356583
5-(Furan-2-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 14914580

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromofuran-2-yl)pyrimidine?
The IUPAC name of 5-(3-bromofuran-2-yl)pyrimidine (CID 146163724) is 5-(3-bromofuran-2-yl)pyrimidine.
What is the SMILES notation for 5-(3-bromofuran-2-yl)pyrimidine?
The canonical SMILES for 5-(3-bromofuran-2-yl)pyrimidine is Brc1ccoc1-c1cncnc1.
What is the InChIKey of 5-(3-bromofuran-2-yl)pyrimidine?
The InChIKey is IKDCHWPTWHZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-1-2-12-8(7)6-3-10-5-11-4-6/h1-5H.
What are the key properties of 5-(3-bromofuran-2-yl)pyrimidine?
5-(3-bromofuran-2-yl)pyrimidine has a molecular weight of 225.05 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromofuran-2-yl)pyrimidine is sourced from PubChem (CID 146163724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).