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

C15H13ClN2O — CID 114734073

IUPAC4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2ccccc2o1
InChIInChI=1S/C15H13ClN2O/c1-2-5-11-14(17-9-18-15(11)16)13-8-10-6-3-4-7-12(10)19-13/h3-4,6-9H,2,5H2,1H3
InChIKeySZDILJOTEAGZCY-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.50
Rot. Bonds3

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

4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine (PubChem CID 114734073) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
PubChem CID114734073
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1cc2ccccc2o1
InChIInChI=1S/C15H13ClN2O/c1-2-5-11-14(17-9-18-15(11)16)13-8-10-6-3-4-7-12(10)19-13/h3-4,6-9H,2,5H2,1H3
InChIKeySZDILJOTEAGZCY-UHFFFAOYSA-N
XLogP4.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.50
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
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018
3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
CID 114734080
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine (CID 114734073) is 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine is CCCc1c(Cl)ncnc1-c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine?
The InChIKey is SZDILJOTEAGZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-2-5-11-14(17-9-18-15(11)16)13-8-10-6-3-4-7-12(10)19-13/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine?
4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine has a molecular weight of 272.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine is sourced from PubChem (CID 114734073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).