5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one

C12H13N3O2 — CID 19152716

IUPAC5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2N)cc1C
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyVWXODNDVAJBTNY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds2

About 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one

5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one (PubChem CID 19152716) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one
PubChem CID19152716
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2N)cc1C
InChIInChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyVWXODNDVAJBTNY-UHFFFAOYSA-N
XLogP1.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one (CID 19152716) is 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2nc[nH]c(=O)c2N)cc1C.
What is the InChIKey of 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is VWXODNDVAJBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)17-12-10(13)11(16)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dimethylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 19152716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).