7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione

C7H6N4O2 — CID 163365412

IUPAC7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
SMILESCc1nc2[nH]c(=O)ncc2c(=O)[nH]1
InChIInChI=1S/C7H6N4O2/c1-3-9-5-4(6(12)10-3)2-8-7(13)11-5/h2H,1H3,(H2,8,9,10,11,12,13)
InChIKeyWEOLOINAIJKNAA-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.69
Rot. Bonds

About 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione

7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione (PubChem CID 163365412) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
PubChem CID163365412
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione
SMILESCc1nc2[nH]c(=O)ncc2c(=O)[nH]1
InChIInChI=1S/C7H6N4O2/c1-3-9-5-4(6(12)10-3)2-8-7(13)11-5/h2H,1H3,(H2,8,9,10,11,12,13)
InChIKeyWEOLOINAIJKNAA-UHFFFAOYSA-N
XLogP-0.69
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione?
The IUPAC name of 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione (CID 163365412) is 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione is Cc1nc2[nH]c(=O)ncc2c(=O)[nH]1.
What is the InChIKey of 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione?
The InChIKey is WEOLOINAIJKNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-3-9-5-4(6(12)10-3)2-8-7(13)11-5/h2H,1H3,(H2,8,9,10,11,12,13).
What are the key properties of 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione?
7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione has a molecular weight of 178.15 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,5-dione is sourced from PubChem (CID 163365412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).