1,5-dihydropyrimido[1,2-a]purine-6,10-dione

C8H5N5O2 — CID 169438676

IUPAC1,5-dihydropyrimido[1,2-a]purine-6,10-dione
SMILESO=c1ccn2c(=O)c3[nH]cnc3nc2[nH]1
InChIInChI=1S/C8H5N5O2/c14-4-1-2-13-7(15)5-6(10-3-9-5)12-8(13)11-4/h1-3H,(H,9,10)(H,11,12,14)
InChIKeyWYCQOKRSTBCXLU-UHFFFAOYSA-N
MW203.16 g/mol
LogP-0.74
Rot. Bonds

About 1,5-dihydropyrimido[1,2-a]purine-6,10-dione

1,5-dihydropyrimido[1,2-a]purine-6,10-dione (PubChem CID 169438676) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 1,5-dihydropyrimido[1,2-a]purine-6,10-dione.

Molecular Properties

Compound Name1,5-dihydropyrimido[1,2-a]purine-6,10-dione
PubChem CID169438676
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC Name1,5-dihydropyrimido[1,2-a]purine-6,10-dione
SMILESO=c1ccn2c(=O)c3[nH]cnc3nc2[nH]1
InChIInChI=1S/C8H5N5O2/c14-4-1-2-13-7(15)5-6(10-3-9-5)12-8(13)11-4/h1-3H,(H,9,10)(H,11,12,14)
InChIKeyWYCQOKRSTBCXLU-UHFFFAOYSA-N
XLogP-0.74
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrimido[1,2-a]purine-6,10-dione?
The IUPAC name of 1,5-dihydropyrimido[1,2-a]purine-6,10-dione (CID 169438676) is 1,5-dihydropyrimido[1,2-a]purine-6,10-dione.
What is the SMILES notation for 1,5-dihydropyrimido[1,2-a]purine-6,10-dione?
The canonical SMILES for 1,5-dihydropyrimido[1,2-a]purine-6,10-dione is O=c1ccn2c(=O)c3[nH]cnc3nc2[nH]1.
What is the InChIKey of 1,5-dihydropyrimido[1,2-a]purine-6,10-dione?
The InChIKey is WYCQOKRSTBCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c14-4-1-2-13-7(15)5-6(10-3-9-5)12-8(13)11-4/h1-3H,(H,9,10)(H,11,12,14).
What are the key properties of 1,5-dihydropyrimido[1,2-a]purine-6,10-dione?
1,5-dihydropyrimido[1,2-a]purine-6,10-dione has a molecular weight of 203.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrimido[1,2-a]purine-6,10-dione is sourced from PubChem (CID 169438676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).