N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine

C12H18FN3O — CID 112703139

IUPACN-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCCOC2CCCCC2)nc1
InChIInChI=1S/C12H18FN3O/c13-10-8-15-12(16-9-10)14-6-7-17-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,14,15,16)
InChIKeyINKLCHSLQPTDJU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine

N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine (PubChem CID 112703139) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine
PubChem CID112703139
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCCOC2CCCCC2)nc1
InChIInChI=1S/C12H18FN3O/c13-10-8-15-12(16-9-10)14-6-7-17-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,14,15,16)
InChIKeyINKLCHSLQPTDJU-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine (CID 112703139) is N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine is Fc1cnc(NCCOC2CCCCC2)nc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine?
The InChIKey is INKLCHSLQPTDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-10-8-15-12(16-9-10)14-6-7-17-11-4-2-1-3-5-11/h8-9,11H,1-7H2,(H,14,15,16).
What are the key properties of N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine?
N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine has a molecular weight of 239.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 112703139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).