5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione

C11H11N3O3 — CID 82171043

IUPAC5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
SMILESCOc1cccc(C2=NC(=O)C(N)C(=O)N2)c1
InChIInChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)9-13-10(15)8(12)11(16)14-9/h2-5,8H,12H2,1H3,(H,13,14,15,16)
InChIKeyTXQZWSFXWKCOHH-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.57
Rot. Bonds2

About 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione

5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione (PubChem CID 82171043) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
PubChem CID82171043
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
SMILESCOc1cccc(C2=NC(=O)C(N)C(=O)N2)c1
InChIInChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)9-13-10(15)8(12)11(16)14-9/h2-5,8H,12H2,1H3,(H,13,14,15,16)
InChIKeyTXQZWSFXWKCOHH-UHFFFAOYSA-N
XLogP-0.57
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-1H-perimidine;hydrochloride
CID 126477763
(4Z)-4-[(2-bromophenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894727
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
CID 82171129
(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 101452406
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione (CID 82171043) is 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione is COc1cccc(C2=NC(=O)C(N)C(=O)N2)c1.
What is the InChIKey of 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is TXQZWSFXWKCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)9-13-10(15)8(12)11(16)14-9/h2-5,8H,12H2,1H3,(H,13,14,15,16).
What are the key properties of 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione?
5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 233.23 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 82171043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).