6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C6H6F3N3O — CID 82402396

IUPAC6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-1-3(2-10)11-5(13)12-4/h1H,2,10H2,(H,11,12,13)
InChIKeyGSWBAMBGWFMFRW-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.25
Rot. Bonds1

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

6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 82402396) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID82402396
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-1-3(2-10)11-5(13)12-4/h1H,2,10H2,(H,11,12,13)
InChIKeyGSWBAMBGWFMFRW-UHFFFAOYSA-N
XLogP0.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
4-Nitrosomethyl-6-trifluoromethyl-1,2-dihydropyrimidin-2-one
CID 101618113
4-Methyl-6-(trifluoromethyl)pyrimidin-2(1H)-one hydrochloride
CID 12343167
4,6-Dimethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62563288
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848428
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849649
4-(Difluoromethyl)-6-(trifluoromethyl)pyrimidin-2-OL
CID 98041975
6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one
CID 82416934

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 82402396) is 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is NCc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is GSWBAMBGWFMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)4-1-3(2-10)11-5(13)12-4/h1H,2,10H2,(H,11,12,13).
What are the key properties of 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 193.13 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82402396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).