1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione

C10H12N4O3 — CID 3049073

IUPAC1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)n1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-11-7-6(8(15)12(5)2)9(16)14(4)10(17)13(7)3/h1-4H3
InChIKeyRHIJQQOGYNUAAZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.36
Rot. Bonds

About 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione

1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 3049073) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID3049073
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)n1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-11-7-6(8(15)12(5)2)9(16)14(4)10(17)13(7)3/h1-4H3
InChIKeyRHIJQQOGYNUAAZ-UHFFFAOYSA-N
XLogP-1.36
TPSA78.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 3049073) is 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione is Cc1nc2c(c(=O)n1C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is RHIJQQOGYNUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-11-7-6(8(15)12(5)2)9(16)14(4)10(17)13(7)3/h1-4H3.
What are the key properties of 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione?
1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 236.23 g/mol, XLogP of -1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetramethylpyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 3049073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).