2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H13F3N4O — CID 136910336

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESN[C@H]1CCCN(c2nc(C(F)(F)F)cc(=O)[nH]2)C1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)16-9(15-7)17-3-1-2-6(14)5-17/h4,6H,1-3,5,14H2,(H,15,16,18)/t6-/m0/s1
InChIKeyFFZTVNNKYNIVSB-LURJTMIESA-N
MW262.23 g/mol
LogP0.72
Rot. Bonds1

About 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136910336) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136910336
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESN[C@H]1CCCN(c2nc(C(F)(F)F)cc(=O)[nH]2)C1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)16-9(15-7)17-3-1-2-6(14)5-17/h4,6H,1-3,5,14H2,(H,15,16,18)/t6-/m0/s1
InChIKeyFFZTVNNKYNIVSB-LURJTMIESA-N
XLogP0.72
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136910336) is 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is N[C@H]1CCCN(c2nc(C(F)(F)F)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is FFZTVNNKYNIVSB-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-4-8(18)16-9(15-7)17-3-1-2-6(14)5-17/h4,6H,1-3,5,14H2,(H,15,16,18)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136910336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).