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

C11H8F3N3O2 — CID 103240889

IUPAC5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc(C(F)(F)F)cc2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyNVXXEBWMJVLYLN-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.16
Rot. Bonds2

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

5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 103240889) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID103240889
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc(C(F)(F)F)cc2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyNVXXEBWMJVLYLN-UHFFFAOYSA-N
XLogP2.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
CID 103241049
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 22543737
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
CID 169108229
5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
CID 146290938
5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
CID 146290995
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598
5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
CID 114764582
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (CID 103240889) is 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is Nc1c(Oc2ccc(C(F)(F)F)cc2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is NVXXEBWMJVLYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18).
What are the key properties of 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 271.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).