5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine

C15H14BrClN2O — CID 66313992

IUPAC5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc3c(c2)CCO3)nc(Cl)c1Br
InChIInChI=1S/C15H14BrClN2O/c1-2-3-11-13(16)14(17)19-15(18-11)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYECCPYBFJCLRKZ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine

5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine (PubChem CID 66313992) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
PubChem CID66313992
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc3c(c2)CCO3)nc(Cl)c1Br
InChIInChI=1S/C15H14BrClN2O/c1-2-3-11-13(16)14(17)19-15(18-11)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyYECCPYBFJCLRKZ-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine (CID 66313992) is 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine is CCCc1nc(-c2ccc3c(c2)CCO3)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The InChIKey is YECCPYBFJCLRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-2-3-11-13(16)14(17)19-15(18-11)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine has a molecular weight of 353.65 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine is sourced from PubChem (CID 66313992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).