4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine

C12H18FN3O — CID 80858444

IUPAC4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine
SMILESCCC1CCCCC1Oc1nc(N)ncc1F
InChIInChI=1S/C12H18FN3O/c1-2-8-5-3-4-6-10(8)17-11-9(13)7-15-12(14)16-11/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyZPDIBCFEHICWNC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.55
Rot. Bonds3

About 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine

4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine (PubChem CID 80858444) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine
PubChem CID80858444
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine
SMILESCCC1CCCCC1Oc1nc(N)ncc1F
InChIInChI=1S/C12H18FN3O/c1-2-8-5-3-4-6-10(8)17-11-9(13)7-15-12(14)16-11/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyZPDIBCFEHICWNC-UHFFFAOYSA-N
XLogP2.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine (CID 80858444) is 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine is CCC1CCCCC1Oc1nc(N)ncc1F.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine?
The InChIKey is ZPDIBCFEHICWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-8-5-3-4-6-10(8)17-11-9(13)7-15-12(14)16-11/h7-8,10H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine?
4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80858444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).