6-anilino-1,3-dimethylpyrimidine-2,4-dione

C12H13N3O2 — CID 726711

IUPAC6-anilino-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-14-10(8-11(16)15(2)12(14)17)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyOXRNFQWQFJHMDP-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.83
Rot. Bonds2

About 6-anilino-1,3-dimethylpyrimidine-2,4-dione

6-anilino-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 726711) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-anilino-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-anilino-1,3-dimethylpyrimidine-2,4-dione
PubChem CID726711
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-anilino-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-14-10(8-11(16)15(2)12(14)17)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyOXRNFQWQFJHMDP-UHFFFAOYSA-N
XLogP0.83
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-anilino-1,3-dimethylpyrimidine-2,4-dione (CID 726711) is 6-anilino-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-anilino-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-anilino-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Nc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-anilino-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OXRNFQWQFJHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-10(8-11(16)15(2)12(14)17)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3.
What are the key properties of 6-anilino-1,3-dimethylpyrimidine-2,4-dione?
6-anilino-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 726711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).