4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione

C7H9N3O2 — CID 13256629

IUPAC4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESO=C1CCN2CCC(=O)NC2=N1
InChIInChI=1S/C7H9N3O2/c11-5-1-3-10-4-2-6(12)9-7(10)8-5/h1-4H2,(H,8,9,11,12)
InChIKeyOFXZMAMICXTYPR-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.91
Rot. Bonds

About 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione

4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 13256629) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID13256629
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESO=C1CCN2CCC(=O)NC2=N1
InChIInChI=1S/C7H9N3O2/c11-5-1-3-10-4-2-6(12)9-7(10)8-5/h1-4H2,(H,8,9,11,12)
InChIKeyOFXZMAMICXTYPR-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

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
Pyrimidine, 3,4,5,6-tetrahydro-3-methyl-2-methylamino-4-oxo-
CID 137198303
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
3-Fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640039
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
2-Methylimino-1,3-diazinan-4-one
CID 135763254
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-one
CID 3823704
2-(dimethylamino)-4,5-dihydro-1H-pyrimidin-6-one
CID 13063785
2-(4-methylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215288
2-(4-ethylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215289
2,3,4,7,8,9-Hexahydropyrimido[1,2-a]pyrimidin-6-one
CID 73412120
2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 79500738

Frequently Asked Questions

What is the IUPAC name of 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 13256629) is 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione is O=C1CCN2CCC(=O)NC2=N1.
What is the InChIKey of 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is OFXZMAMICXTYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-5-1-3-10-4-2-6(12)9-7(10)8-5/h1-4H2,(H,8,9,11,12).
What are the key properties of 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione?
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-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 4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 13256629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).