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

C9H10N4O2 — CID 777743

IUPAC1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1ncc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H10N4O2/c1-5-10-4-6-7(11-5)12(2)9(15)13(3)8(6)14/h4H,1-3H3
InChIKeyWRBHLBLXAATARW-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.66
Rot. Bonds

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

1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 777743) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID777743
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1ncc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H10N4O2/c1-5-10-4-6-7(11-5)12(2)9(15)13(3)8(6)14/h4H,1-3H3
InChIKeyWRBHLBLXAATARW-UHFFFAOYSA-N
XLogP-0.66
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 777743) is 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione is Cc1ncc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is WRBHLBLXAATARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-10-4-6-7(11-5)12(2)9(15)13(3)8(6)14/h4H,1-3H3.
What are the key properties of 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione?
1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 206.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 777743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).