4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine

C12H9BrN2O — CID 105371643

IUPAC4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine
SMILESBrc1ncncc1-c1cccc2c1OCC2
InChIInChI=1S/C12H9BrN2O/c13-12-10(6-14-7-15-12)9-3-1-2-8-4-5-16-11(8)9/h1-3,6-7H,4-5H2
InChIKeyCEEPVFWQXBKLKV-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.84
Rot. Bonds1

About 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine

4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine (PubChem CID 105371643) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine
PubChem CID105371643
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine
SMILESBrc1ncncc1-c1cccc2c1OCC2
InChIInChI=1S/C12H9BrN2O/c13-12-10(6-14-7-15-12)9-3-1-2-8-4-5-16-11(8)9/h1-3,6-7H,4-5H2
InChIKeyCEEPVFWQXBKLKV-UHFFFAOYSA-N
XLogP2.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,3-dihydro-1-benzofuran-7-yl)-2-methylquinazoline
CID 145234099
5-(2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
CID 114746396
3-(3,4-dihydro-2H-chromen-8-yl)-4-methylpyridine
CID 165409098
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
CID 162625614
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
CID 114746394
8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781675
6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114747278
4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
CID 106522385
3-[[3-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
CID 135235976
3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 126714555
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
CID 114747133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine?
The IUPAC name of 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine (CID 105371643) is 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine?
The canonical SMILES for 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine is Brc1ncncc1-c1cccc2c1OCC2.
What is the InChIKey of 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine?
The InChIKey is CEEPVFWQXBKLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-12-10(6-14-7-15-12)9-3-1-2-8-4-5-16-11(8)9/h1-3,6-7H,4-5H2.
What are the key properties of 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine?
4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine has a molecular weight of 277.12 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine is sourced from PubChem (CID 105371643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).