5-methoxy-4-phenoxy-1H-pyrimidin-6-one

C11H10N2O3 — CID 103241155

IUPAC5-methoxy-4-phenoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccccc2)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-15-9-10(14)12-7-13-11(9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyAHFSCMAHTNKUPS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.57
Rot. Bonds3

About 5-methoxy-4-phenoxy-1H-pyrimidin-6-one

5-methoxy-4-phenoxy-1H-pyrimidin-6-one (PubChem CID 103241155) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-methoxy-4-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-phenoxy-1H-pyrimidin-6-one
PubChem CID103241155
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-methoxy-4-phenoxy-1H-pyrimidin-6-one
SMILESCOc1c(Oc2ccccc2)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3/c1-15-9-10(14)12-7-13-11(9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyAHFSCMAHTNKUPS-UHFFFAOYSA-N
XLogP1.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580986
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
4-phenoxy-5-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 146290985
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 107667208

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-phenoxy-1H-pyrimidin-6-one (CID 103241155) is 5-methoxy-4-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-phenoxy-1H-pyrimidin-6-one is COc1c(Oc2ccccc2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-phenoxy-1H-pyrimidin-6-one?
The InChIKey is AHFSCMAHTNKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-9-10(14)12-7-13-11(9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-phenoxy-1H-pyrimidin-6-one?
5-methoxy-4-phenoxy-1H-pyrimidin-6-one has a molecular weight of 218.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).