6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C10H12F3N3O — CID 83851234

IUPAC6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(CC2CCCN2)[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)4-6-2-1-3-14-6/h5-6,14H,1-4H2,(H,15,16,17)
InChIKeyFSCQSKARYHMJMM-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.08
Rot. Bonds2

About 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83851234) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83851234
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(C(F)(F)F)cc(CC2CCCN2)[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)4-6-2-1-3-14-6/h5-6,14H,1-4H2,(H,15,16,17)
InChIKeyFSCQSKARYHMJMM-UHFFFAOYSA-N
XLogP1.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83851234) is 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(C(F)(F)F)cc(CC2CCCN2)[nH]1.
What is the InChIKey of 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is FSCQSKARYHMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-5-7(15-9(17)16-8)4-6-2-1-3-14-6/h5-6,14H,1-4H2,(H,15,16,17).
What are the key properties of 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 247.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83851234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).