1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

C8H8N4O2 — CID 46503573

IUPAC1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1ncc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2/c1-4-9-3-5-6(10-4)12(2)8(14)11-7(5)13/h3H,1-2H3,(H,11,13,14)
InChIKeyQTDKWGPEXSIHDE-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.67
Rot. Bonds

About 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 46503573) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID46503573
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1ncc2c(=O)[nH]c(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2/c1-4-9-3-5-6(10-4)12(2)8(14)11-7(5)13/h3H,1-2H3,(H,11,13,14)
InChIKeyQTDKWGPEXSIHDE-UHFFFAOYSA-N
XLogP-0.67
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 46503573) is 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is Cc1ncc2c(=O)[nH]c(=O)n(C)c2n1.
What is the InChIKey of 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is QTDKWGPEXSIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-9-3-5-6(10-4)12(2)8(14)11-7(5)13/h3H,1-2H3,(H,11,13,14).
What are the key properties of 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46503573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).