N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine

C13H22FN3O — CID 103270007

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCOCC(Nc1ncnc(CC)c1F)C(C)C
InChIInChI=1S/C13H22FN3O/c1-5-10-12(14)13(16-8-15-10)17-11(9(3)4)7-18-6-2/h8-9,11H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyUZPYUKUWKPEJSM-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.65
Rot. Bonds7

About N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 103270007) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID103270007
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCOCC(Nc1ncnc(CC)c1F)C(C)C
InChIInChI=1S/C13H22FN3O/c1-5-10-12(14)13(16-8-15-10)17-11(9(3)4)7-18-6-2/h8-9,11H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyUZPYUKUWKPEJSM-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 103270007) is N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine is CCOCC(Nc1ncnc(CC)c1F)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is UZPYUKUWKPEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-5-10-12(14)13(16-8-15-10)17-11(9(3)4)7-18-6-2/h8-9,11H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 255.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103270007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).