N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

C13H20FN3O — CID 80859232

IUPACN-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C13H20FN3O/c1-3-15-13-16-8-11(14)12(17-13)18-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJLZLHHIUGJQCOE-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine

N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80859232) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80859232
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CCC(C)CC2)n1
InChIInChI=1S/C13H20FN3O/c1-3-15-13-16-8-11(14)12(17-13)18-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJLZLHHIUGJQCOE-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine (CID 80859232) is N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is CCNc1ncc(F)c(OC2CCC(C)CC2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is JLZLHHIUGJQCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-15-13-16-8-11(14)12(17-13)18-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine?
N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 253.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(4-methylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80859232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).