4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine

C14H13ClN2O — CID 43804064

IUPAC4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H13ClN2O/c1-2-11-8-13(15)17-14(16-11)10-3-4-12-9(7-10)5-6-18-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyDVAKJYMHKPYOML-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine

4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine (PubChem CID 43804064) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
PubChem CID43804064
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H13ClN2O/c1-2-11-8-13(15)17-14(16-11)10-3-4-12-9(7-10)5-6-18-12/h3-4,7-8H,2,5-6H2,1H3
InChIKeyDVAKJYMHKPYOML-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104544765
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine (CID 43804064) is 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine is CCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine?
The InChIKey is DVAKJYMHKPYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-11-8-13(15)17-14(16-11)10-3-4-12-9(7-10)5-6-18-12/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine?
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine has a molecular weight of 260.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine is sourced from PubChem (CID 43804064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).