4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one

C12H13N3O4 — CID 102702936

IUPAC4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1ccc(N)c(Oc2nc[nH]c(=O)c2OC)c1
InChIInChI=1S/C12H13N3O4/c1-17-7-3-4-8(13)9(5-7)19-12-10(18-2)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyUULRXURLEHULSL-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.16
Rot. Bonds4

About 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 102702936) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID102702936
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1ccc(N)c(Oc2nc[nH]c(=O)c2OC)c1
InChIInChI=1S/C12H13N3O4/c1-17-7-3-4-8(13)9(5-7)19-12-10(18-2)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyUULRXURLEHULSL-UHFFFAOYSA-N
XLogP1.16
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
5-methoxy-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580986
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
4-[4-(aminomethyl)-2-fluorophenoxy]-5-methoxy-1H-pyrimidin-6-one
CID 107667208
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
CID 102703068
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]-4-methylbenzoic acid
CID 114585672
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one (CID 102702936) is 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one is COc1ccc(N)c(Oc2nc[nH]c(=O)c2OC)c1.
What is the InChIKey of 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UULRXURLEHULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-17-7-3-4-8(13)9(5-7)19-12-10(18-2)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 263.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102702936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).