1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione

C12H12N2O3 — CID 6457804

IUPAC1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(C)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(15)13-12(16)14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15,16)
InChIKeyDMFMLMYUVNZCFB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.84
Rot. Bonds2

About 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione

1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione (PubChem CID 6457804) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
PubChem CID6457804
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(C)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(15)13-12(16)14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15,16)
InChIKeyDMFMLMYUVNZCFB-UHFFFAOYSA-N
XLogP0.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione (CID 6457804) is 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione is COc1ccc(-n2c(C)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is DMFMLMYUVNZCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-7-11(15)13-12(16)14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15,16).
What are the key properties of 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione?
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 6457804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).