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

C15H15ClN2O — CID 43804058

IUPAC4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H15ClN2O/c1-2-3-12-9-14(16)18-15(17-12)11-4-5-13-10(8-11)6-7-19-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKHQBPHXZWUZCKD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.68
Rot. Bonds3

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

4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine (PubChem CID 43804058) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
PubChem CID43804058
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C15H15ClN2O/c1-2-3-12-9-14(16)18-15(17-12)11-4-5-13-10(8-11)6-7-19-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKHQBPHXZWUZCKD-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.68
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-ethylpyrimidine
CID 43804064
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
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-iodopyrimidin-4-amine
CID 66295990
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine (CID 43804058) is 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
The InChIKey is KHQBPHXZWUZCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-3-12-9-14(16)18-15(17-12)11-4-5-13-10(8-11)6-7-19-13/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine?
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.68, 3 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-propylpyrimidine is sourced from PubChem (CID 43804058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).