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

C15H14Cl2N2O — CID 63613502

IUPAC4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc3c(c2)CCO3)nc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-2-3-11-13(16)18-15(19-14(11)17)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQGEVFRLKBGUVIP-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.34
Rot. Bonds3

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

4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine (PubChem CID 63613502) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
PubChem CID63613502
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc3c(c2)CCO3)nc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-2-3-11-13(16)18-15(19-14(11)17)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQGEVFRLKBGUVIP-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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)-6-propylpyrimidine
CID 43804058
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-iodopyrimidin-4-amine
CID 66295990
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
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-propylpyrimidine
CID 43557667

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine (CID 63613502) is 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine is CCCc1c(Cl)nc(-c2ccc3c(c2)CCO3)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine?
The InChIKey is QGEVFRLKBGUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-3-11-13(16)18-15(19-14(11)17)10-4-5-12-9(8-10)6-7-20-12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine?
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine has a molecular weight of 309.20 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine is sourced from PubChem (CID 63613502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).