3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C9H9N3O2 — CID 118005412

IUPAC3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCCc1cn2ccc(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9N3O2/c1-2-6-5-12-4-3-7(13)10-9(12)11-8(6)14/h3-5H,2H2,1H3,(H,10,11,13,14)
InChIKeyKDUOXNBRXITJQD-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.05
Rot. Bonds1

About 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 118005412) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID118005412
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCCc1cn2ccc(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9N3O2/c1-2-6-5-12-4-3-7(13)10-9(12)11-8(6)14/h3-5H,2H2,1H3,(H,10,11,13,14)
InChIKeyKDUOXNBRXITJQD-UHFFFAOYSA-N
XLogP-0.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 118005412) is 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is CCc1cn2ccc(=O)[nH]c2nc1=O.
What is the InChIKey of 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is KDUOXNBRXITJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-6-5-12-4-3-7(13)10-9(12)11-8(6)14/h3-5H,2H2,1H3,(H,10,11,13,14).
What are the key properties of 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 191.19 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 118005412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).