3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide

C15H19FN4O2 — CID 57496517

IUPAC3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide
SMILESCN1C(=O)C(C)(C)[C@](C)(c2cc(C(N)=O)ccc2F)N=C1N
InChIInChI=1S/C15H19FN4O2/c1-14(2)12(22)20(4)13(18)19-15(14,3)9-7-8(11(17)21)5-6-10(9)16/h5-7H,1-4H3,(H2,17,21)(H2,18,19)/t15-/m0/s1
InChIKeyWJSVKGJZODQJMX-HNNXBMFYSA-N
MW306.34 g/mol
LogP0.95
Rot. Bonds2

About 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide

3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide (PubChem CID 57496517) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide
PubChem CID57496517
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide
SMILESCN1C(=O)C(C)(C)[C@](C)(c2cc(C(N)=O)ccc2F)N=C1N
InChIInChI=1S/C15H19FN4O2/c1-14(2)12(22)20(4)13(18)19-15(14,3)9-7-8(11(17)21)5-6-10(9)16/h5-7H,1-4H3,(H2,17,21)(H2,18,19)/t15-/m0/s1
InChIKeyWJSVKGJZODQJMX-HNNXBMFYSA-N
XLogP0.95
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide?
The IUPAC name of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide (CID 57496517) is 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide is CN1C(=O)C(C)(C)[C@](C)(c2cc(C(N)=O)ccc2F)N=C1N.
What is the InChIKey of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide?
The InChIKey is WJSVKGJZODQJMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-14(2)12(22)20(4)13(18)19-15(14,3)9-7-8(11(17)21)5-6-10(9)16/h5-7H,1-4H3,(H2,17,21)(H2,18,19)/t15-/m0/s1.
What are the key properties of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide?
3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide has a molecular weight of 306.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 57496517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).