5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride

C11H9ClF3N3O3 — CID 156633949

IUPAC5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O3.ClH/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10;/h1-5H,15H2,(H,16,17,18);1H
InChIKeyFSCRAUJZIUJFRC-UHFFFAOYSA-N
MW323.66 g/mol
LogP2.46
Rot. Bonds3

About 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride

5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 156633949) has the molecular formula C11H9ClF3N3O3 and a molecular weight of 323.66 g/mol. Its IUPAC name is 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride
PubChem CID156633949
Molecular FormulaC11H9ClF3N3O3
Molecular Weight323.66 g/mol
Exact Mass323.03
IUPAC Name5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O3.ClH/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10;/h1-5H,15H2,(H,16,17,18);1H
InChIKeyFSCRAUJZIUJFRC-UHFFFAOYSA-N
XLogP2.46
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride (CID 156633949) is 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride is Cl.Nc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is FSCRAUJZIUJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3.ClH/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10;/h1-5H,15H2,(H,16,17,18);1H.
What are the key properties of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 323.66 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 156633949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).