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

C16H15ClN2O — CID 114734119

IUPAC4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H15ClN2O/c1-3-4-12-15(18-9-19-16(12)17)14-8-11-7-10(2)5-6-13(11)20-14/h5-9H,3-4H2,1-2H3
InChIKeyZNPVINILQHAKLM-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.80
Rot. Bonds3

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

4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine (PubChem CID 114734119) 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)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
PubChem CID114734119
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H15ClN2O/c1-3-4-12-15(18-9-19-16(12)17)14-8-11-7-10(2)5-6-13(11)20-14/h5-9H,3-4H2,1-2H3
InChIKeyZNPVINILQHAKLM-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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Related Compounds

4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
CID 114734073
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine (CID 114734119) is 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine is CCCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1.
What is the InChIKey of 4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine?
The InChIKey is ZNPVINILQHAKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-3-4-12-15(18-9-19-16(12)17)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)-5-propylpyrimidine?
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-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)-5-propylpyrimidine is sourced from PubChem (CID 114734119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).