4-(3-aminophenoxy)-1H-pyrimidin-6-one

C10H9N3O2 — CID 114578576

IUPAC4-(3-aminophenoxy)-1H-pyrimidin-6-one
SMILESNc1cccc(Oc2cc(=O)[nH]cn2)c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-3-8(4-7)15-10-5-9(14)12-6-13-10/h1-6H,11H2,(H,12,13,14)
InChIKeyUOTNFEKHHKTGTC-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-aminophenoxy)-1H-pyrimidin-6-one

4-(3-aminophenoxy)-1H-pyrimidin-6-one (PubChem CID 114578576) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminophenoxy)-1H-pyrimidin-6-one
PubChem CID114578576
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(3-aminophenoxy)-1H-pyrimidin-6-one
SMILESNc1cccc(Oc2cc(=O)[nH]cn2)c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-3-8(4-7)15-10-5-9(14)12-6-13-10/h1-6H,11H2,(H,12,13,14)
InChIKeyUOTNFEKHHKTGTC-UHFFFAOYSA-N
XLogP1.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
4-(4-phenylphenoxy)-1H-pyrimidin-6-one
CID 103240907
4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
3-(6-chloropyrimidin-4-yl)oxyaniline
CID 95928501
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
CID 114585970
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 103241999
4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580982
3-(6-methoxypyrimidin-4-yl)oxyaniline
CID 66319653
4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 114578605
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[(5-chloro-2-pyridinyl)oxy]aniline
CID 43364009

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminophenoxy)-1H-pyrimidin-6-one (CID 114578576) is 4-(3-aminophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminophenoxy)-1H-pyrimidin-6-one is Nc1cccc(Oc2cc(=O)[nH]cn2)c1.
What is the InChIKey of 4-(3-aminophenoxy)-1H-pyrimidin-6-one?
The InChIKey is UOTNFEKHHKTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-2-1-3-8(4-7)15-10-5-9(14)12-6-13-10/h1-6H,11H2,(H,12,13,14).
What are the key properties of 4-(3-aminophenoxy)-1H-pyrimidin-6-one?
4-(3-aminophenoxy)-1H-pyrimidin-6-one has a molecular weight of 203.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114578576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).