5,8-dihydropyrimido[4,5-d]pyrimidine

C6H6N4 — CID 5041401

IUPAC5,8-dihydropyrimido[4,5-d]pyrimidine
SMILESC1=NCc2cncnc2N1
InChIInChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1,3-4H,2H2,(H,7,8,9,10)
InChIKeyJJMAZTAIOHIWRQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

About 5,8-dihydropyrimido[4,5-d]pyrimidine

5,8-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 5041401) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5,8-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,8-dihydropyrimido[4,5-d]pyrimidine
PubChem CID5041401
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5,8-dihydropyrimido[4,5-d]pyrimidine
SMILESC1=NCc2cncnc2N1
InChIInChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1,3-4H,2H2,(H,7,8,9,10)
InChIKeyJJMAZTAIOHIWRQ-UHFFFAOYSA-N
XLogP0.43
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 5,8-dihydropyrimido[4,5-d]pyrimidine (CID 5041401) is 5,8-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 5,8-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 5,8-dihydropyrimido[4,5-d]pyrimidine is C1=NCc2cncnc2N1.
What is the InChIKey of 5,8-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is JJMAZTAIOHIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-2-8-4-10-6(5)9-3-7-1/h1,3-4H,2H2,(H,7,8,9,10).
What are the key properties of 5,8-dihydropyrimido[4,5-d]pyrimidine?
5,8-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 5041401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).