5-bromo-2-(2-cyclohexylethoxy)pyrimidine

C12H17BrN2O — CID 138986725

IUPAC5-bromo-2-(2-cyclohexylethoxy)pyrimidine
SMILESBrc1cnc(OCCC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2O/c13-11-8-14-12(15-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyOFCDOAMKFLCSBX-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-2-(2-cyclohexylethoxy)pyrimidine

5-bromo-2-(2-cyclohexylethoxy)pyrimidine (PubChem CID 138986725) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-bromo-2-(2-cyclohexylethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-cyclohexylethoxy)pyrimidine
PubChem CID138986725
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name5-bromo-2-(2-cyclohexylethoxy)pyrimidine
SMILESBrc1cnc(OCCC2CCCCC2)nc1
InChIInChI=1S/C12H17BrN2O/c13-11-8-14-12(15-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyOFCDOAMKFLCSBX-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-2-(2-cyclobutylethoxy)pyridine
CID 106203686
2-(5-bromopyrimidin-2-yl)oxyethanamine
CID 63871925
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
CID 114191448
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
4-(2-cyclopentylethoxy)pyridine
CID 91320777
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205527
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 106999595
3-bromo-2-(2-cyclobutylethoxy)pyridine
CID 106203696
5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
CID 63867544
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-cyclohexylethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(2-cyclohexylethoxy)pyrimidine (CID 138986725) is 5-bromo-2-(2-cyclohexylethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-cyclohexylethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-cyclohexylethoxy)pyrimidine is Brc1cnc(OCCC2CCCCC2)nc1.
What is the InChIKey of 5-bromo-2-(2-cyclohexylethoxy)pyrimidine?
The InChIKey is OFCDOAMKFLCSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-8-14-12(15-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 5-bromo-2-(2-cyclohexylethoxy)pyrimidine?
5-bromo-2-(2-cyclohexylethoxy)pyrimidine has a molecular weight of 285.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-cyclohexylethoxy)pyrimidine is sourced from PubChem (CID 138986725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).