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

C9H13N3O2 — CID 112640042

IUPAC3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCC1(C)C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-9(2)6(13)11-8-10-4-3-5-12(8)7(9)14/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyCLAHOXKNRRKJDJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds

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

3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 112640042) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID112640042
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCC1(C)C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-9(2)6(13)11-8-10-4-3-5-12(8)7(9)14/h3-5H2,1-2H3,(H,10,11,13)
InChIKeyCLAHOXKNRRKJDJ-UHFFFAOYSA-N
XLogP-0.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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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Related Compounds

3-Fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640039
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
1-methyl-3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-6-one
CID 153811580
1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one
CID 13492732
2-(4-methylpiperazin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 53215288
2,3,4,7,8,9-Hexahydropyrimido[1,2-a]pyrimidin-6-one
CID 73412120
5,5-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 79502192
6,6-dimethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639997
3-Ethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640016
3-Propan-2-yl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640025
Spiro[1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-3,1'-cyclopropane]-2,4-dione
CID 112640034
3,3-Diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640046

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 112640042) is 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is CC1(C)C(=O)NC2=NCCCN2C1=O.
What is the InChIKey of 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is CLAHOXKNRRKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2)6(13)11-8-10-4-3-5-12(8)7(9)14/h3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
3,3-dimethyl-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, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 112640042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).