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

C13H9ClN2O — CID 105371620

IUPAC5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
SMILESCc1ccc2oc(-c3ncncc3Cl)cc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-2-3-11-9(4-8)5-12(17-11)13-10(14)6-15-7-16-13/h2-7H,1H3
InChIKeyWRSMVIMVBYJZKQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.85
Rot. Bonds1

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

5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine (PubChem CID 105371620) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
PubChem CID105371620
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
SMILESCc1ccc2oc(-c3ncncc3Cl)cc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-2-3-11-9(4-8)5-12(17-11)13-10(14)6-15-7-16-13/h2-7H,1H3
InChIKeyWRSMVIMVBYJZKQ-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
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
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
N,2,5-trimethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine (CID 105371620) is 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine is Cc1ccc2oc(-c3ncncc3Cl)cc2c1.
What is the InChIKey of 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine?
The InChIKey is WRSMVIMVBYJZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-2-3-11-9(4-8)5-12(17-11)13-10(14)6-15-7-16-13/h2-7H,1H3.
What are the key properties of 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine?
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine has a molecular weight of 244.68 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 105371620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).