4-cyclohexyloxy-5-fluoropyrimidin-2-amine

C10H14FN3O — CID 80858902

IUPAC4-cyclohexyloxy-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OC2CCCCC2)n1
InChIInChI=1S/C10H14FN3O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyAZEYDOVYMMUQHN-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.91
Rot. Bonds2

About 4-cyclohexyloxy-5-fluoropyrimidin-2-amine

4-cyclohexyloxy-5-fluoropyrimidin-2-amine (PubChem CID 80858902) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-cyclohexyloxy-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-5-fluoropyrimidin-2-amine
PubChem CID80858902
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-cyclohexyloxy-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(OC2CCCCC2)n1
InChIInChI=1S/C10H14FN3O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyAZEYDOVYMMUQHN-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-cyclohexyloxy-5-fluoropyrimidin-2-amine (CID 80858902) is 4-cyclohexyloxy-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-cyclohexyloxy-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-cyclohexyloxy-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(OC2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyloxy-5-fluoropyrimidin-2-amine?
The InChIKey is AZEYDOVYMMUQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14).
What are the key properties of 4-cyclohexyloxy-5-fluoropyrimidin-2-amine?
4-cyclohexyloxy-5-fluoropyrimidin-2-amine has a molecular weight of 211.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80858902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).