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

C9H13N3O2 — CID 112640016

IUPAC3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCCC1C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-2-6-7(13)11-9-10-4-3-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyAQGZGVZAMDOIQX-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds1

About 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione

3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 112640016) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID112640016
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCCC1C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-2-6-7(13)11-9-10-4-3-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyAQGZGVZAMDOIQX-UHFFFAOYSA-N
XLogP-0.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.27
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 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 112640016) is 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is CCC1C(=O)NC2=NCCCN2C1=O.
What is the InChIKey of 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is AQGZGVZAMDOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-6-7(13)11-9-10-4-3-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 112640016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).