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

C16H15ClN2O — CID 114734108

IUPAC4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cc3cc(C)ccc3o2)n1
InChIInChI=1S/C16H15ClN2O/c1-3-4-16-18-12(9-15(17)19-16)14-8-11-7-10(2)5-6-13(11)20-14/h5-9H,3-4H2,1-2H3
InChIKeyVWCXNEPQICCRBH-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.80
Rot. Bonds3

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

4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine (PubChem CID 114734108) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
PubChem CID114734108
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cc3cc(C)ccc3o2)n1
InChIInChI=1S/C16H15ClN2O/c1-3-4-16-18-12(9-15(17)19-16)14-8-11-7-10(2)5-6-13(11)20-14/h5-9H,3-4H2,1-2H3
InChIKeyVWCXNEPQICCRBH-UHFFFAOYSA-N
XLogP4.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine (CID 114734108) is 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2cc3cc(C)ccc3o2)n1.
What is the InChIKey of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine?
The InChIKey is VWCXNEPQICCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-3-4-16-18-12(9-15(17)19-16)14-8-11-7-10(2)5-6-13(11)20-14/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine?
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine has a molecular weight of 286.76 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine is sourced from PubChem (CID 114734108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).