5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

C18H19FN6O2 — CID 69051419

IUPAC5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(Cc2cc(-c3ccc(F)cc3)no2)c(N2CCOCC2)n1
InChIInChI=1S/C18H19FN6O2/c19-12-3-1-11(2-4-12)15-10-13(27-24-15)9-14-16(20)22-18(21)23-17(14)25-5-7-26-8-6-25/h1-4,10H,5-9H2,(H4,20,21,22,23)
InChIKeyPRTGCLNJYHHUSR-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.86
Rot. Bonds4

About 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 69051419) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID69051419
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(Cc2cc(-c3ccc(F)cc3)no2)c(N2CCOCC2)n1
InChIInChI=1S/C18H19FN6O2/c19-12-3-1-11(2-4-12)15-10-13(27-24-15)9-14-16(20)22-18(21)23-17(14)25-5-7-26-8-6-25/h1-4,10H,5-9H2,(H4,20,21,22,23)
InChIKeyPRTGCLNJYHHUSR-UHFFFAOYSA-N
XLogP1.86
TPSA116.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 69051419) is 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is Nc1nc(N)c(Cc2cc(-c3ccc(F)cc3)no2)c(N2CCOCC2)n1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is PRTGCLNJYHHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c19-12-3-1-11(2-4-12)15-10-13(27-24-15)9-14-16(20)22-18(21)23-17(14)25-5-7-26-8-6-25/h1-4,10H,5-9H2,(H4,20,21,22,23).
What are the key properties of 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine?
5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 370.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 69051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).