2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine

C13H11BrN2O2 — CID 116897223

IUPAC2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc(Br)n1
InChIInChI=1S/C13H11BrN2O2/c1-8-6-10(16-13(14)15-8)9-2-3-11-12(7-9)18-5-4-17-11/h2-3,6-7H,4-5H2,1H3
InChIKeyMQIFNQIQPMQHTI-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.99
Rot. Bonds1

About 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine

2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine (PubChem CID 116897223) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
PubChem CID116897223
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)nc(Br)n1
InChIInChI=1S/C13H11BrN2O2/c1-8-6-10(16-13(14)15-8)9-2-3-11-12(7-9)18-5-4-17-11/h2-3,6-7H,4-5H2,1H3
InChIKeyMQIFNQIQPMQHTI-UHFFFAOYSA-N
XLogP2.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192466
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazole
CID 112571996

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The IUPAC name of 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine (CID 116897223) is 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine.
What is the SMILES notation for 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The canonical SMILES for 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine is Cc1cc(-c2ccc3c(c2)OCCO3)nc(Br)n1.
What is the InChIKey of 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The InChIKey is MQIFNQIQPMQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-6-10(16-13(14)15-8)9-2-3-11-12(7-9)18-5-4-17-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine has a molecular weight of 307.15 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine is sourced from PubChem (CID 116897223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).