4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine

C12H9BrN2O2 — CID 129498299

IUPAC4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
SMILESBrc1cc([C@@H]2COc3ccccc3O2)ncn1
InChIInChI=1S/C12H9BrN2O2/c13-12-5-8(14-7-15-12)11-6-16-9-3-1-2-4-10(9)17-11/h1-5,7,11H,6H2/t11-/m0/s1
InChIKeyJUJBEFZNXHKQCB-NSHDSACASA-N
MW293.12 g/mol
LogP2.75
Rot. Bonds1

About 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine

4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine (PubChem CID 129498299) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
PubChem CID129498299
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
SMILESBrc1cc([C@@H]2COc3ccccc3O2)ncn1
InChIInChI=1S/C12H9BrN2O2/c13-12-5-8(14-7-15-12)11-6-16-9-3-1-2-4-10(9)17-11/h1-5,7,11H,6H2/t11-/m0/s1
InChIKeyJUJBEFZNXHKQCB-NSHDSACASA-N
XLogP2.75
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
CID 135025433
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
CID 2836304
4-(2,3-dihydro-1,4-benzodioxin-3-yl)benzene-1,2-diol
CID 10149192
3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 57131096
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-3H-indole
CID 58164284
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
CID 66774628
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 58164103
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
2-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 12005580
3-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-pyrazole-4-carbonitrile
CID 118669544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine?
The IUPAC name of 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine (CID 129498299) is 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine.
What is the SMILES notation for 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine?
The canonical SMILES for 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine is Brc1cc([C@@H]2COc3ccccc3O2)ncn1.
What is the InChIKey of 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine?
The InChIKey is JUJBEFZNXHKQCB-NSHDSACASA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-12-5-8(14-7-15-12)11-6-16-9-3-1-2-4-10(9)17-11/h1-5,7,11H,6H2/t11-/m0/s1.
What are the key properties of 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine?
4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine has a molecular weight of 293.12 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine is sourced from PubChem (CID 129498299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).