7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

C8H9N5O2 — CID 13194072

IUPAC7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C8H9N5O2/c1-12-5-4(3-10-7(9)11-5)6(14)13(2)8(12)15/h3H,1-2H3,(H2,9,10,11)
InChIKeySQLPPJLFOFRSHO-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.39
Rot. Bonds

About 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 13194072) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID13194072
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cnc(N)nc2n(C)c1=O
InChIInChI=1S/C8H9N5O2/c1-12-5-4(3-10-7(9)11-5)6(14)13(2)8(12)15/h3H,1-2H3,(H2,9,10,11)
InChIKeySQLPPJLFOFRSHO-UHFFFAOYSA-N
XLogP-1.39
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 13194072) is 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c(=O)c2cnc(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is SQLPPJLFOFRSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-12-5-4(3-10-7(9)11-5)6(14)13(2)8(12)15/h3H,1-2H3,(H2,9,10,11).
What are the key properties of 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of -1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 13194072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).