2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine

C11H10BrClN2O — CID 43557769

IUPAC2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc(Br)o2)n1
InChIInChI=1S/C11H10BrClN2O/c1-6(2)7-5-10(13)15-11(14-7)8-3-4-9(12)16-8/h3-6H,1-2H3
InChIKeyMPZGTQBMZUFBNW-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.28
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine

2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine (PubChem CID 43557769) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine
PubChem CID43557769
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc(Br)o2)n1
InChIInChI=1S/C11H10BrClN2O/c1-6(2)7-5-10(13)15-11(14-7)8-3-4-9(12)16-8/h3-6H,1-2H3
InChIKeyMPZGTQBMZUFBNW-UHFFFAOYSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine (CID 43557769) is 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(-c2ccc(Br)o2)n1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine?
The InChIKey is MPZGTQBMZUFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-6(2)7-5-10(13)15-11(14-7)8-3-4-9(12)16-8/h3-6H,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine?
2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine has a molecular weight of 301.57 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 43557769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).