6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

C16H20N4O3 — CID 2480606

IUPAC6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C16H20N4O3/c1-9-6-5-7-11(10(9)2)18-8-12(21)13-14(17)19(3)16(23)20(4)15(13)22/h5-7,18H,8,17H2,1-4H3
InChIKeyJENDXUQVOYTXAD-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.58
Rot. Bonds4

About 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2480606) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2480606
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cccc(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C16H20N4O3/c1-9-6-5-7-11(10(9)2)18-8-12(21)13-14(17)19(3)16(23)20(4)15(13)22/h5-7,18H,8,17H2,1-4H3
InChIKeyJENDXUQVOYTXAD-UHFFFAOYSA-N
XLogP0.58
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2480606) is 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cccc(NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C.
What is the InChIKey of 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JENDXUQVOYTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-6-5-7-11(10(9)2)18-8-12(21)13-14(17)19(3)16(23)20(4)15(13)22/h5-7,18H,8,17H2,1-4H3.
What are the key properties of 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2,3-dimethylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2480606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).