6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

C18H20FN5O — CID 133420407

IUPAC6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCCc1nc(C(Nc2ncnc(CC)c2F)c2ccccc2)no1
InChIInChI=1S/C18H20FN5O/c1-3-8-14-22-18(24-25-14)16(12-9-6-5-7-10-12)23-17-15(19)13(4-2)20-11-21-17/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,20,21,23)
InChIKeySUFAXBSRSAUUOC-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.72
Rot. Bonds7

About 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 133420407) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID133420407
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCCc1nc(C(Nc2ncnc(CC)c2F)c2ccccc2)no1
InChIInChI=1S/C18H20FN5O/c1-3-8-14-22-18(24-25-14)16(12-9-6-5-7-10-12)23-17-15(19)13(4-2)20-11-21-17/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,20,21,23)
InChIKeySUFAXBSRSAUUOC-UHFFFAOYSA-N
XLogP3.72
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine (CID 133420407) is 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is CCCc1nc(C(Nc2ncnc(CC)c2F)c2ccccc2)no1.
What is the InChIKey of 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is SUFAXBSRSAUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-3-8-14-22-18(24-25-14)16(12-9-6-5-7-10-12)23-17-15(19)13(4-2)20-11-21-17/h5-7,9-11,16H,3-4,8H2,1-2H3,(H,20,21,23).
What are the key properties of 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133420407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).