1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

C7H9N3O2 — CID 126973088

IUPAC1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2CCCN=C2N1
InChIInChI=1S/C7H9N3O2/c11-5-4-6(12)10-3-1-2-8-7(10)9-5/h1-4H2,(H,8,9,11)
InChIKeyLOTBWNPXRQMEMC-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.91
Rot. Bonds

About 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 126973088) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID126973088
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESO=C1CC(=O)N2CCCN=C2N1
InChIInChI=1S/C7H9N3O2/c11-5-4-6(12)10-3-1-2-8-7(10)9-5/h1-4H2,(H,8,9,11)
InChIKeyLOTBWNPXRQMEMC-UHFFFAOYSA-N
XLogP-0.91
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 126973088) is 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is O=C1CC(=O)N2CCCN=C2N1.
What is the InChIKey of 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is LOTBWNPXRQMEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-5-4-6(12)10-3-1-2-8-7(10)9-5/h1-4H2,(H,8,9,11).
What are the key properties of 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 167.17 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 126973088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).