N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

C17H18FN5O — CID 133418970

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2noc(Cc3ccccc3)n2)c1F
InChIInChI=1S/C17H18FN5O/c1-3-13-15(18)17(20-10-19-13)21-11(2)16-22-14(24-23-16)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21)
InChIKeyJOMRRVDVTIUIGL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.33
Rot. Bonds6

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133418970) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133418970
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(C)c2noc(Cc3ccccc3)n2)c1F
InChIInChI=1S/C17H18FN5O/c1-3-13-15(18)17(20-10-19-13)21-11(2)16-22-14(24-23-16)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21)
InChIKeyJOMRRVDVTIUIGL-UHFFFAOYSA-N
XLogP3.33
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133418970) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(C)c2noc(Cc3ccccc3)n2)c1F.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is JOMRRVDVTIUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-3-13-15(18)17(20-10-19-13)21-11(2)16-22-14(24-23-16)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).