N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine

C12H14FN5O2 — CID 131930604

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCc2nc(C3CC3)no2)ncc1F
InChIInChI=1S/C12H14FN5O2/c1-19-11-8(13)6-15-12(17-11)14-5-4-9-16-10(18-20-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,15,17)
InChIKeyJJJMTWHZUHHHSE-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 131930604) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID131930604
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCc2nc(C3CC3)no2)ncc1F
InChIInChI=1S/C12H14FN5O2/c1-19-11-8(13)6-15-12(17-11)14-5-4-9-16-10(18-20-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,15,17)
InChIKeyJJJMTWHZUHHHSE-UHFFFAOYSA-N
XLogP1.54
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 131930604) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NCCc2nc(C3CC3)no2)ncc1F.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is JJJMTWHZUHHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c1-19-11-8(13)6-15-12(17-11)14-5-4-9-16-10(18-20-9)7-2-3-7/h6-7H,2-5H2,1H3,(H,14,15,17).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 279.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131930604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).