5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine

C9H10BrF3N2O2 — CID 86016338

IUPAC5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C(F)(F)F)nc(OC(C)C)c1Br
InChIInChI=1S/C9H10BrF3N2O2/c1-4(2)17-7-5(10)6(16-3)14-8(15-7)9(11,12)13/h4H,1-3H3
InChIKeyUIOSGCUJTIFFAI-UHFFFAOYSA-N
MW315.09 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine

5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine (PubChem CID 86016338) has the molecular formula C9H10BrF3N2O2 and a molecular weight of 315.09 g/mol. Its IUPAC name is 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
PubChem CID86016338
Molecular FormulaC9H10BrF3N2O2
Molecular Weight315.09 g/mol
Exact Mass313.99
IUPAC Name5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
SMILESCOc1nc(C(F)(F)F)nc(OC(C)C)c1Br
InChIInChI=1S/C9H10BrF3N2O2/c1-4(2)17-7-5(10)6(16-3)14-8(15-7)9(11,12)13/h4H,1-3H3
InChIKeyUIOSGCUJTIFFAI-UHFFFAOYSA-N
XLogP3.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4,6-dimethoxy-2-methylpyrimidine
CID 45117354
2,4-Diethoxy-5,6-difluoropyrimidine
CID 134912746
4,6-Diethoxy-2,5-dimethylpyrimidine
CID 60096147
5-Bromo-4-(difluoromethoxy)-6-methoxy-2-methylpyrimidine
CID 59058126
5-Bromo-2-cyclopropyl-4-methoxy-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 69745389
4-Methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
CID 69908737
4,6-Di(propan-2-yloxy)-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 69909309
5-Bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 86016335
5-Bromo-2-cyclopropyl-4-(2-fluoroethoxy)-6-methoxypyrimidine
CID 87977028
5-Bromo-2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
CID 87977665
5-Fluoro-2-isocyanato-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 90122926
5-Fluoro-2-isocyanato-4,6-bis(1,2,2-trifluoroethoxy)pyrimidine
CID 90123048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine (CID 86016338) is 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine is COc1nc(C(F)(F)F)nc(OC(C)C)c1Br.
What is the InChIKey of 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is UIOSGCUJTIFFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2/c1-4(2)17-7-5(10)6(16-3)14-8(15-7)9(11,12)13/h4H,1-3H3.
What are the key properties of 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine?
5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 315.09 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 86016338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).