5-amino-1,3,6-trimethylpyrimidine-2,4-dione

C7H11N3O2 — CID 816935

IUPAC5-amino-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H11N3O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h8H2,1-3H3
InChIKeyFDKLGFYAEDLCNA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.03
Rot. Bonds

About 5-amino-1,3,6-trimethylpyrimidine-2,4-dione

5-amino-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 816935) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID816935
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H11N3O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h8H2,1-3H3
InChIKeyFDKLGFYAEDLCNA-UHFFFAOYSA-N
XLogP-1.03
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1,3,6-trimethylpyrimidine-2,4-dione (CID 816935) is 5-amino-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-amino-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is FDKLGFYAEDLCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h8H2,1-3H3.
What are the key properties of 5-amino-1,3,6-trimethylpyrimidine-2,4-dione?
5-amino-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 816935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).