4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine

C12H17FN2O — CID 114340959

IUPAC4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine
SMILESCC1(C)CCC(Oc2cc(F)ncn2)CC1
InChIInChI=1S/C12H17FN2O/c1-12(2)5-3-9(4-6-12)16-11-7-10(13)14-8-15-11/h7-9H,3-6H2,1-2H3
InChIKeyXWVQKNYCOCGHBP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.96
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine

4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine (PubChem CID 114340959) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine
PubChem CID114340959
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine
SMILESCC1(C)CCC(Oc2cc(F)ncn2)CC1
InChIInChI=1S/C12H17FN2O/c1-12(2)5-3-9(4-6-12)16-11-7-10(13)14-8-15-11/h7-9H,3-6H2,1-2H3
InChIKeyXWVQKNYCOCGHBP-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine (CID 114340959) is 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine is CC1(C)CCC(Oc2cc(F)ncn2)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine?
The InChIKey is XWVQKNYCOCGHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2)5-3-9(4-6-12)16-11-7-10(13)14-8-15-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine?
4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine has a molecular weight of 224.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-6-fluoropyrimidine is sourced from PubChem (CID 114340959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).