2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C19H24FN5O2 — CID 66727386

IUPAC2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCc1nc(CNc2ccc(F)c(C3(C)N=C(N)N(C)C(=O)C3(C)C)c2)co1
InChIInChI=1S/C19H24FN5O2/c1-11-23-13(10-27-11)9-22-12-6-7-15(20)14(8-12)19(4)18(2,3)16(26)25(5)17(21)24-19/h6-8,10,22H,9H2,1-5H3,(H2,21,24)
InChIKeyQLFMEKUUHIVJDF-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 66727386) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID66727386
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCc1nc(CNc2ccc(F)c(C3(C)N=C(N)N(C)C(=O)C3(C)C)c2)co1
InChIInChI=1S/C19H24FN5O2/c1-11-23-13(10-27-11)9-22-12-6-7-15(20)14(8-12)19(4)18(2,3)16(26)25(5)17(21)24-19/h6-8,10,22H,9H2,1-5H3,(H2,21,24)
InChIKeyQLFMEKUUHIVJDF-UHFFFAOYSA-N
XLogP2.76
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 66727386) is 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is Cc1nc(CNc2ccc(F)c(C3(C)N=C(N)N(C)C(=O)C3(C)C)c2)co1.
What is the InChIKey of 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is QLFMEKUUHIVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-11-23-13(10-27-11)9-22-12-6-7-15(20)14(8-12)19(4)18(2,3)16(26)25(5)17(21)24-19/h6-8,10,22H,9H2,1-5H3,(H2,21,24).
What are the key properties of 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 373.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 66727386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).