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

C11H11N3O3 — CID 738322

IUPAC6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(N)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16)
InChIKeyMXKBISQRMLJVPY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.12
Rot. Bonds2

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

6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 738322) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID738322
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(N)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16)
InChIKeyMXKBISQRMLJVPY-UHFFFAOYSA-N
XLogP0.12
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 738322) is 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(N)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is MXKBISQRMLJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h2-6H,12H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 738322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).