2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H12F3N3O2 — CID 136901053

IUPAC2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NC[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-8(17)16-9(15-7)14-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyQOAVTEIWEAKREE-LURJTMIESA-N
MW263.22 g/mol
LogP1.38
Rot. Bonds3

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

2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136901053) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136901053
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(NC[C@@H]2CCCO2)[nH]1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-8(17)16-9(15-7)14-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyQOAVTEIWEAKREE-LURJTMIESA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136901053) is 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(NC[C@@H]2CCCO2)[nH]1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QOAVTEIWEAKREE-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-4-8(17)16-9(15-7)14-5-6-2-1-3-18-6/h4,6H,1-3,5H2,(H2,14,15,16,17)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 263.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136901053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).