2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine

C11H14ClFN2O — CID 79081131

IUPAC2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine
SMILESCC1CCC(Oc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H14ClFN2O/c1-7-2-4-8(5-3-7)16-10-9(13)6-14-11(12)15-10/h6-8H,2-5H2,1H3
InChIKeyGBVZBFCYIAMZMH-UHFFFAOYSA-N
MW244.70 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine

2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine (PubChem CID 79081131) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine
PubChem CID79081131
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine
SMILESCC1CCC(Oc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H14ClFN2O/c1-7-2-4-8(5-3-7)16-10-9(13)6-14-11(12)15-10/h6-8H,2-5H2,1H3
InChIKeyGBVZBFCYIAMZMH-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 53.23
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-(4-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine (CID 79081131) is 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine is CC1CCC(Oc2nc(Cl)ncc2F)CC1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine?
The InChIKey is GBVZBFCYIAMZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7-2-4-8(5-3-7)16-10-9(13)6-14-11(12)15-10/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine?
2-chloro-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidine has a molecular weight of 244.70 g/mol, XLogP of 3.23, 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-(4-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 79081131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).