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

C15H13ClN2O — CID 114734113

IUPAC4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H13ClN2O/c1-3-11-14(17-8-18-15(11)16)13-7-10-6-9(2)4-5-12(10)19-13/h4-8H,3H2,1-2H3
InChIKeyITCQVXKVTUHKMB-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.41
Rot. Bonds2

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

4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine (PubChem CID 114734113) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
PubChem CID114734113
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H13ClN2O/c1-3-11-14(17-8-18-15(11)16)13-7-10-6-9(2)4-5-12(10)19-13/h4-8H,3H2,1-2H3
InChIKeyITCQVXKVTUHKMB-UHFFFAOYSA-N
XLogP4.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
CID 114734073
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
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
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine (CID 114734113) is 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine is CCc1c(Cl)ncnc1-c1cc2cc(C)ccc2o1.
What is the InChIKey of 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The InChIKey is ITCQVXKVTUHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-3-11-14(17-8-18-15(11)16)13-7-10-6-9(2)4-5-12(10)19-13/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine?
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine has a molecular weight of 272.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 114734113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).