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

C6H6F3N3O — CID 136693499

IUPAC5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-3(1-10)5(13)12-2-11-4/h2H,1,10H2,(H,11,12,13)
InChIKeyIKOTZTKCMKYMEU-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.25
Rot. Bonds1

About 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136693499) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136693499
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNCc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-3(1-10)5(13)12-2-11-4/h2H,1,10H2,(H,11,12,13)
InChIKeyIKOTZTKCMKYMEU-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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136693499) is 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is NCc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is IKOTZTKCMKYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)4-3(1-10)5(13)12-2-11-4/h2H,1,10H2,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-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 5-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136693499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).