N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine

C16H26FN3O — CID 80843631

IUPACN-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H26FN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-11(4)6-7-12(14)10(2)3/h9-12,14H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyYLOFMYNBDGUIOG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.89
Rot. Bonds5

About N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine

N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80843631) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80843631
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(F)c(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H26FN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-11(4)6-7-12(14)10(2)3/h9-12,14H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyYLOFMYNBDGUIOG-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.89
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-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine (CID 80843631) is N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine is CCNc1ncc(F)c(OC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is YLOFMYNBDGUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-18-16-19-9-13(17)15(20-16)21-14-8-11(4)6-7-12(14)10(2)3/h9-12,14H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine?
N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 295.40 g/mol, XLogP of 3.89, 5 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-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80843631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).