6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine

C18H16FN7O2 — CID 155339921

IUPAC6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(F)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C18H16FN7O2/c1-9(18-26-25-10(2)28-18)24-17-13-4-11(16-20-6-12(19)7-21-16)5-14(27-3)15(13)22-8-23-17/h4-9H,1-3H3,(H,22,23,24)
InChIKeyHYSRVHRIJWYEDR-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.10
Rot. Bonds5

About 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine

6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine (PubChem CID 155339921) has the molecular formula C18H16FN7O2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
PubChem CID155339921
Molecular FormulaC18H16FN7O2
Molecular Weight381.37 g/mol
Exact Mass381.13
IUPAC Name6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncc(F)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12
InChIInChI=1S/C18H16FN7O2/c1-9(18-26-25-10(2)28-18)24-17-13-4-11(16-20-6-12(19)7-21-16)5-14(27-3)15(13)22-8-23-17/h4-9H,1-3H3,(H,22,23,24)
InChIKeyHYSRVHRIJWYEDR-UHFFFAOYSA-N
XLogP3.10
TPSA111.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine (CID 155339921) is 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine is COc1cc(-c2ncc(F)cn2)cc2c(NC(C)c3nnc(C)o3)ncnc12.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is HYSRVHRIJWYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O2/c1-9(18-26-25-10(2)28-18)24-17-13-4-11(16-20-6-12(19)7-21-16)5-14(27-3)15(13)22-8-23-17/h4-9H,1-3H3,(H,22,23,24).
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine?
6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 381.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 155339921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).