5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one

C11H10FN3O2 — CID 107171900

IUPAC5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2N)cc1F
InChIInChI=1S/C11H10FN3O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyWIHIBADYRGOSJU-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.59
Rot. Bonds2

About 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one

5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 107171900) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID107171900
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2N)cc1F
InChIInChI=1S/C11H10FN3O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyWIHIBADYRGOSJU-UHFFFAOYSA-N
XLogP1.59
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148
5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 22543737
5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
CID 103241049
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
CID 146290995
5-amino-4-[4-(aminomethyl)-2,6-dimethylphenoxy]-1H-pyrimidin-6-one
CID 114585960

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (CID 107171900) is 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2nc[nH]c(=O)c2N)cc1F.
What is the InChIKey of 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is WIHIBADYRGOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-2-3-7(4-8(6)12)17-11-9(13)10(16)14-5-15-11/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 235.22 g/mol, XLogP of 1.59, 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-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 107171900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).