4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine

C11H16FN3O — CID 80879969

IUPAC4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C11H16FN3O/c12-9-6-14-11(13)15-10(9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,13,14,15)
InChIKeyYGYYNMPWVTXUOD-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.16
Rot. Bonds3

About 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine

4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80879969) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
PubChem CID80879969
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C11H16FN3O/c12-9-6-14-11(13)15-10(9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,13,14,15)
InChIKeyYGYYNMPWVTXUOD-UHFFFAOYSA-N
XLogP2.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine (CID 80879969) is 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(OCC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is YGYYNMPWVTXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-9-6-14-11(13)15-10(9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,13,14,15).
What are the key properties of 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine?
4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).