4-bromo-2-(oxan-4-yloxy)pyrimidine

C9H11BrN2O2 — CID 137377117

IUPAC4-bromo-2-(oxan-4-yloxy)pyrimidine
SMILESBrc1ccnc(OC2CCOCC2)n1
InChIInChI=1S/C9H11BrN2O2/c10-8-1-4-11-9(12-8)14-7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyMYWZQAISPGEBDU-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.80
Rot. Bonds2

About 4-bromo-2-(oxan-4-yloxy)pyrimidine

4-bromo-2-(oxan-4-yloxy)pyrimidine (PubChem CID 137377117) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4-bromo-2-(oxan-4-yloxy)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(oxan-4-yloxy)pyrimidine
PubChem CID137377117
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name4-bromo-2-(oxan-4-yloxy)pyrimidine
SMILESBrc1ccnc(OC2CCOCC2)n1
InChIInChI=1S/C9H11BrN2O2/c10-8-1-4-11-9(12-8)14-7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyMYWZQAISPGEBDU-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-2-methoxypyrimidine
CID 44119193
N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996255
4-Bromo-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 15788060
4-Bromo-2-prop-2-enoxypyrimidine
CID 101965597
4-Bromo-2-(2-fluoroethoxy)pyrimidine
CID 165794365
4-(4-Bromopyrimidin-2-yl)morpholine
CID 45787495
4-Bromo-2-ethoxypyrimidine
CID 45787780
4-Bromo-2-(iso-propoxy)pyrimidine
CID 45787782
4-Bromo-2-(tert-butoxy)pyrimidine
CID 45787786
2-Pentoxypyrimidine
CID 53938257
5-bromo-2-(tetrahydro-2H-pyran-4-yloxy)pyrimidine
CID 63867842
2-(Cyclohexyloxy)pyrimidine
CID 88984869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(oxan-4-yloxy)pyrimidine?
The IUPAC name of 4-bromo-2-(oxan-4-yloxy)pyrimidine (CID 137377117) is 4-bromo-2-(oxan-4-yloxy)pyrimidine.
What is the SMILES notation for 4-bromo-2-(oxan-4-yloxy)pyrimidine?
The canonical SMILES for 4-bromo-2-(oxan-4-yloxy)pyrimidine is Brc1ccnc(OC2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-(oxan-4-yloxy)pyrimidine?
The InChIKey is MYWZQAISPGEBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-1-4-11-9(12-8)14-7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2.
What are the key properties of 4-bromo-2-(oxan-4-yloxy)pyrimidine?
4-bromo-2-(oxan-4-yloxy)pyrimidine has a molecular weight of 259.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(oxan-4-yloxy)pyrimidine is sourced from PubChem (CID 137377117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).