4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine

C13H20FN3O — CID 80858355

IUPAC4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC1CCCCC1Oc1nc(NC)ncc1F
InChIInChI=1S/C13H20FN3O/c1-3-9-6-4-5-7-11(9)18-12-10(14)8-16-13(15-2)17-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyWCVVMCQROCGVDA-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.01
Rot. Bonds4

About 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine

4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80858355) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80858355
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC1CCCCC1Oc1nc(NC)ncc1F
InChIInChI=1S/C13H20FN3O/c1-3-9-6-4-5-7-11(9)18-12-10(14)8-16-13(15-2)17-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyWCVVMCQROCGVDA-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.01
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-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine (CID 80858355) is 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine is CCC1CCCCC1Oc1nc(NC)ncc1F.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is WCVVMCQROCGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-9-6-4-5-7-11(9)18-12-10(14)8-16-13(15-2)17-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine?
4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 3.01, 4 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-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80858355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).