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

C11H9ClF3N3O2 — CID 146290992

IUPAC5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)19-10-8(15)9(18)16-5-17-10;/h1-5H,15H2,(H,16,17,18);1H
InChIKeyFIPBGNNPGDXSRR-UHFFFAOYSA-N
MW307.66 g/mol
LogP2.59
Rot. Bonds2

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

5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 146290992) has the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol. Its IUPAC name is 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
PubChem CID146290992
Molecular FormulaC11H9ClF3N3O2
Molecular Weight307.66 g/mol
Exact Mass307.03
IUPAC Name5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride
SMILESCl.Nc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)19-10-8(15)9(18)16-5-17-10;/h1-5H,15H2,(H,16,17,18);1H
InChIKeyFIPBGNNPGDXSRR-UHFFFAOYSA-N
XLogP2.59
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride (CID 146290992) is 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride is Cl.Nc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is FIPBGNNPGDXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)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-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 307.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 146290992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).