4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine

C15H12ClFN2O — CID 114734319

IUPAC4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C15H12ClFN2O/c1-2-4-10-13(18-8-19-15(10)16)12-7-9-5-3-6-11(17)14(9)20-12/h3,5-8H,2,4H2,1H3
InChIKeyMRLGHCAXAUYNMN-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.63
Rot. Bonds3

About 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine

4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine (PubChem CID 114734319) has the molecular formula C15H12ClFN2O and a molecular weight of 290.72 g/mol. Its IUPAC name is 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
PubChem CID114734319
Molecular FormulaC15H12ClFN2O
Molecular Weight290.72 g/mol
Exact Mass290.06
IUPAC Name4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C15H12ClFN2O/c1-2-4-10-13(18-8-19-15(10)16)12-7-9-5-3-6-11(17)14(9)20-12/h3,5-8H,2,4H2,1H3
InChIKeyMRLGHCAXAUYNMN-UHFFFAOYSA-N
XLogP4.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
CID 114734073
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136770221
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521879
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine (CID 114734319) is 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine is CCCc1c(Cl)ncnc1-c1cc2cccc(F)c2o1.
What is the InChIKey of 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine?
The InChIKey is MRLGHCAXAUYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-2-4-10-13(18-8-19-15(10)16)12-7-9-5-3-6-11(17)14(9)20-12/h3,5-8H,2,4H2,1H3.
What are the key properties of 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine?
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine has a molecular weight of 290.72 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine is sourced from PubChem (CID 114734319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).