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

C11H11N3O3 — CID 82475448

IUPAC6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(N)cc1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c1-17-9-3-2-6(12)4-7(9)8-5-10(15)14-11(16)13-8/h2-5H,12H2,1H3,(H2,13,14,15,16)
InChIKeyUMZOJTUENJHFQM-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.32
Rot. Bonds2

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

6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 82475448) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID82475448
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(N)cc1-c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c1-17-9-3-2-6(12)4-7(9)8-5-10(15)14-11(16)13-8/h2-5H,12H2,1H3,(H2,13,14,15,16)
InChIKeyUMZOJTUENJHFQM-UHFFFAOYSA-N
XLogP0.32
TPSA100.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline
CID 58195321
6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 113389395
3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
CID 61318608
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
3-methoxy-4-(5-methyl-1H-pyrrol-2-yl)aniline
CID 141243307
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
6-amino-1H-pyrimidine-2,4-dione;4,5-dichloro-2-methoxyaniline
CID 70633784
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 82475448) is 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(N)cc1-c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UMZOJTUENJHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-9-3-2-6(12)4-7(9)8-5-10(15)14-11(16)13-8/h2-5H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82475448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).