4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine

C13H20FN3O2 — CID 165385921

IUPAC4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine
SMILESCCOC1CCC(COc2nc(N)ncc2F)CC1
InChIInChI=1S/C13H20FN3O2/c1-2-18-10-5-3-9(4-6-10)8-19-12-11(14)7-16-13(15)17-12/h7,9-10H,2-6,8H2,1H3,(H2,15,16,17)
InChIKeyMBUWALMUPKDBEF-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.17
Rot. Bonds5

About 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine

4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine (PubChem CID 165385921) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine
PubChem CID165385921
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine
SMILESCCOC1CCC(COc2nc(N)ncc2F)CC1
InChIInChI=1S/C13H20FN3O2/c1-2-18-10-5-3-9(4-6-10)8-19-12-11(14)7-16-13(15)17-12/h7,9-10H,2-6,8H2,1H3,(H2,15,16,17)
InChIKeyMBUWALMUPKDBEF-UHFFFAOYSA-N
XLogP2.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethoxycyclohexyl)methoxy]-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

Related Compounds

2-Cyclohexyloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282361
4-[(3-Methoxycyclohexyl)oxy]pyrimidin-2-amine
CID 80876113
4-Cyclohexylmethoxy-pyrimidine
CID 138454370
2,4-Di(n-hexadecyloxy)-5-fluoropyrimidine
CID 13061617
2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylheptan-2-yl)oxypyrimidine
CID 89060361
2-Chloro-5-fluoro-4-(1,1,1-trifluoro-3-methylhexan-2-yl)oxypyrimidine
CID 89209784
2-Chloro-5-fluoro-4-[2,2,2-trifluoro-1-(1-methylcycloundecyl)ethoxy]pyrimidine
CID 91315056
2-Chloro-5-fluoro-4-[2,2,2-trifluoro-1-(1-methylcyclododecyl)ethoxy]pyrimidine
CID 123385463
2-Chloro-4-(1-cycloheptyl-2,2,2-trifluoroethoxy)-5-fluoropyrimidine
CID 143519612
2-Chloro-4-(1-cyclooctyl-2,2,2-trifluoroethoxy)-5-fluoropyrimidine
CID 144233327
2,4-Bis(10,10-dimethylundecoxy)-5-fluoropyrimidine
CID 150655734
Ethyl 2-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxycyclohexyl]acetate
CID 167388788

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine (CID 165385921) is 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine is CCOC1CCC(COc2nc(N)ncc2F)CC1.
What is the InChIKey of 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine?
The InChIKey is MBUWALMUPKDBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-2-18-10-5-3-9(4-6-10)8-19-12-11(14)7-16-13(15)17-12/h7,9-10H,2-6,8H2,1H3,(H2,15,16,17).
What are the key properties of 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine?
4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine has a molecular weight of 269.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycyclohexyl)methoxy]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 165385921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).