5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one

C15H15BrN2O2 — CID 66311095

IUPAC5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(CCc2ccc3c(c2)CCO3)c(=O)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-14(16)15(19)18(9-17-10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3
InChIKeyDWJABKKCWAZXMT-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one

5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 66311095) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
PubChem CID66311095
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(CCc2ccc3c(c2)CCO3)c(=O)c1Br
InChIInChI=1S/C15H15BrN2O2/c1-10-14(16)15(19)18(9-17-10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3
InChIKeyDWJABKKCWAZXMT-UHFFFAOYSA-N
XLogP2.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
CID 114585245
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
CID 86792227
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpyrimidin-4-one
CID 114581740
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940891
4-(1-chloroethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethylpyrazole
CID 65444431
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylindole
CID 116620301
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one (CID 66311095) is 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one is Cc1ncn(CCc2ccc3c(c2)CCO3)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is DWJABKKCWAZXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-14(16)15(19)18(9-17-10)6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one?
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 335.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 66311095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).