1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one

C11H16N6O3 — CID 91373032

IUPAC1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one
SMILESCNc1ncn(C)c(=O)n1.Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2.C5H8N4O/c1-4-3-8(2)6(10)7-5(4)9;1-6-4-7-3-9(2)5(10)8-4/h3H,1-2H3,(H,7,9,10);3H,1-2H3,(H,6,8,10)
InChIKeyRNTADWLHOOIYSB-UHFFFAOYSA-N
MW280.29 g/mol
LogP-1.40
Rot. Bonds1

About 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one

1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one (PubChem CID 91373032) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one
PubChem CID91373032
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one
SMILESCNc1ncn(C)c(=O)n1.Cc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O2.C5H8N4O/c1-4-3-8(2)6(10)7-5(4)9;1-6-4-7-3-9(2)5(10)8-4/h3H,1-2H3,(H,7,9,10);3H,1-2H3,(H,6,8,10)
InChIKeyRNTADWLHOOIYSB-UHFFFAOYSA-N
XLogP-1.40
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one?
The IUPAC name of 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one (CID 91373032) is 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one.
What is the SMILES notation for 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one?
The canonical SMILES for 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one is CNc1ncn(C)c(=O)n1.Cc1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one?
The InChIKey is RNTADWLHOOIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C5H8N4O/c1-4-3-8(2)6(10)7-5(4)9;1-6-4-7-3-9(2)5(10)8-4/h3H,1-2H3,(H,7,9,10);3H,1-2H3,(H,6,8,10).
What are the key properties of 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one?
1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one has a molecular weight of 280.29 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one is sourced from PubChem (CID 91373032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).