2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine

C14H20ClFN2O — CID 79081615

IUPAC2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)ncc2F)C1
InChIInChI=1S/C14H20ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h7-10,12H,4-6H2,1-3H3
InChIKeyYHTOESAQEGQVSM-UHFFFAOYSA-N
MW286.78 g/mol
LogP4.11
Rot. Bonds3

About 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine

2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine (PubChem CID 79081615) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
PubChem CID79081615
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)ncc2F)C1
InChIInChI=1S/C14H20ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h7-10,12H,4-6H2,1-3H3
InChIKeyYHTOESAQEGQVSM-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 54.11
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-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine (CID 79081615) is 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine is CC1CCC(C(C)C)C(Oc2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The InChIKey is YHTOESAQEGQVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-8(2)10-5-4-9(3)6-12(10)19-13-11(16)7-17-14(15)18-13/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
2-chloro-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine has a molecular weight of 286.78 g/mol, XLogP of 4.11, 3 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-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 79081615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).