1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone

C9H10N4O4 — CID 3049074

IUPAC1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone
SMILESCn1c(=O)[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C9H10N4O4/c1-11-5-4(7(15)13(3)9(11)17)6(14)12(2)8(16)10-5/h1-3H3,(H,10,16)
InChIKeyDMCIQFIQKFYWRY-UHFFFAOYSA-N
MW238.20 g/mol
LogP-2.38
Rot. Bonds

About 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone

1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone (PubChem CID 3049074) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone.

Molecular Properties

Compound Name1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone
PubChem CID3049074
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone
SMILESCn1c(=O)[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C9H10N4O4/c1-11-5-4(7(15)13(3)9(11)17)6(14)12(2)8(16)10-5/h1-3H3,(H,10,16)
InChIKeyDMCIQFIQKFYWRY-UHFFFAOYSA-N
XLogP-2.38
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone?
The IUPAC name of 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone (CID 3049074) is 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone.
What is the SMILES notation for 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone?
The canonical SMILES for 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone is Cn1c(=O)[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone?
The InChIKey is DMCIQFIQKFYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-11-5-4(7(15)13(3)9(11)17)6(14)12(2)8(16)10-5/h1-3H3,(H,10,16).
What are the key properties of 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone?
1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone has a molecular weight of 238.20 g/mol, XLogP of -2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone is sourced from PubChem (CID 3049074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).