5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one

C12H13N3O3 — CID 114580986

IUPAC5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
SMILESCNc1ccc(Oc2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C12H13N3O3/c1-13-8-3-5-9(6-4-8)18-12-10(17-2)11(16)14-7-15-12/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyLVGYMBBMDASKQK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.61
Rot. Bonds4

About 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one

5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one (PubChem CID 114580986) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
PubChem CID114580986
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
SMILESCNc1ccc(Oc2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C12H13N3O3/c1-13-8-3-5-9(6-4-8)18-12-10(17-2)11(16)14-7-15-12/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyLVGYMBBMDASKQK-UHFFFAOYSA-N
XLogP1.61
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
5-chloro-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580990
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580982
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
4-[4-(aminomethyl)-2-chlorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114585951
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-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one (CID 114580986) is 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one is CNc1ccc(Oc2nc[nH]c(=O)c2OC)cc1.
What is the InChIKey of 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is LVGYMBBMDASKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-13-8-3-5-9(6-4-8)18-12-10(17-2)11(16)14-7-15-12/h3-7,13H,1-2H3,(H,14,15,16).
What are the key properties of 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 247.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114580986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).