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

C13H20FN3O — CID 80878643

IUPAC4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C13H20FN3O/c1-2-15-13-16-8-11(14)12(17-13)18-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyZKHNUQHAVBXYCY-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.01
Rot. Bonds5

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

4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80878643) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80878643
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(OCC2CCCCC2)n1
InChIInChI=1S/C13H20FN3O/c1-2-15-13-16-8-11(14)12(17-13)18-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyZKHNUQHAVBXYCY-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine (CID 80878643) is 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(OCC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is ZKHNUQHAVBXYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-15-13-16-8-11(14)12(17-13)18-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine?
4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80878643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).