2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine

C13H18ClFN2O — CID 79080781

IUPAC2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCC1CC(Oc2nc(Cl)ncc2F)CC(C)(C)C1
InChIInChI=1S/C13H18ClFN2O/c1-8-4-9(6-13(2,3)5-8)18-11-10(15)7-16-12(14)17-11/h7-9H,4-6H2,1-3H3
InChIKeySYUFHICTTPYUJA-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine

2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine (PubChem CID 79080781) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
PubChem CID79080781
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCC1CC(Oc2nc(Cl)ncc2F)CC(C)(C)C1
InChIInChI=1S/C13H18ClFN2O/c1-8-4-9(6-13(2,3)5-8)18-11-10(15)7-16-12(14)17-11/h7-9H,4-6H2,1-3H3
InChIKeySYUFHICTTPYUJA-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine (CID 79080781) is 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine is CC1CC(Oc2nc(Cl)ncc2F)CC(C)(C)C1.
What is the InChIKey of 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The InChIKey is SYUFHICTTPYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8-4-9(6-13(2,3)5-8)18-11-10(15)7-16-12(14)17-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine has a molecular weight of 272.75 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(3,3,5-trimethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 79080781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).