N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine

C19H16FN5O2 — CID 10316760

IUPACN-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine
SMILESCOc1cccc(C2=NN(C)c3nc(Nc4ccc(F)cc4)ncc3O2)c1
InChIInChI=1S/C19H16FN5O2/c1-25-17-16(27-18(24-25)12-4-3-5-15(10-12)26-2)11-21-19(23-17)22-14-8-6-13(20)7-9-14/h3-11H,1-2H3,(H,21,22,23)
InChIKeyXTXARJKQNJJHPC-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.56
Rot. Bonds4

About N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine

N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine (PubChem CID 10316760) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine
PubChem CID10316760
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine
SMILESCOc1cccc(C2=NN(C)c3nc(Nc4ccc(F)cc4)ncc3O2)c1
InChIInChI=1S/C19H16FN5O2/c1-25-17-16(27-18(24-25)12-4-3-5-15(10-12)26-2)11-21-19(23-17)22-14-8-6-13(20)7-9-14/h3-11H,1-2H3,(H,21,22,23)
InChIKeyXTXARJKQNJJHPC-UHFFFAOYSA-N
XLogP3.56
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine (CID 10316760) is N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine is COc1cccc(C2=NN(C)c3nc(Nc4ccc(F)cc4)ncc3O2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine?
The InChIKey is XTXARJKQNJJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-17-16(27-18(24-25)12-4-3-5-15(10-12)26-2)11-21-19(23-17)22-14-8-6-13(20)7-9-14/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine?
N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine has a molecular weight of 365.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrimido[4,5-e][1,3,4]oxadiazin-7-amine is sourced from PubChem (CID 10316760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).