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

C19H23FN4O2 — CID 58082829

IUPAC(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCc3ccon3)ccc2F)N=C1N
InChIInChI=1S/C19H23FN4O2/c1-18(2)16(25)24(4)17(21)22-19(18,3)14-11-12(6-8-15(14)20)5-7-13-9-10-26-23-13/h6,8-11H,5,7H2,1-4H3,(H2,21,22)/t19-/m1/s1
InChIKeyMETQPJMRAOMWCA-LJQANCHMSA-N
MW358.42 g/mol
LogP2.63
Rot. Bonds4

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

(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 58082829) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID58082829
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCc3ccon3)ccc2F)N=C1N
InChIInChI=1S/C19H23FN4O2/c1-18(2)16(25)24(4)17(21)22-19(18,3)14-11-12(6-8-15(14)20)5-7-13-9-10-26-23-13/h6,8-11H,5,7H2,1-4H3,(H2,21,22)/t19-/m1/s1
InChIKeyMETQPJMRAOMWCA-LJQANCHMSA-N
XLogP2.63
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 58082829) is (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(CCc3ccon3)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is METQPJMRAOMWCA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-18(2)16(25)24(4)17(21)22-19(18,3)14-11-12(6-8-15(14)20)5-7-13-9-10-26-23-13/h6,8-11H,5,7H2,1-4H3,(H2,21,22)/t19-/m1/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 358.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58082829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).