2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one

C11H13F3N4O2 — CID 154058334

IUPAC2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESO=C(N1CCCC(Nc2nccc(=O)[nH]2)C1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)9(20)18-5-1-2-7(6-18)16-10-15-4-3-8(19)17-10/h3-4,7H,1-2,5-6H2,(H2,15,16,17,19)
InChIKeyOGVVYDQZQDUJTD-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.74
Rot. Bonds2

About 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one

2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one (PubChem CID 154058334) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
PubChem CID154058334
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESO=C(N1CCCC(Nc2nccc(=O)[nH]2)C1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)9(20)18-5-1-2-7(6-18)16-10-15-4-3-8(19)17-10/h3-4,7H,1-2,5-6H2,(H2,15,16,17,19)
InChIKeyOGVVYDQZQDUJTD-UHFFFAOYSA-N
XLogP0.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one (CID 154058334) is 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one is O=C(N1CCCC(Nc2nccc(=O)[nH]2)C1)C(F)(F)F.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is OGVVYDQZQDUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)9(20)18-5-1-2-7(6-18)16-10-15-4-3-8(19)17-10/h3-4,7H,1-2,5-6H2,(H2,15,16,17,19).
What are the key properties of 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one?
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 290.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 154058334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).