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

C11H17N3O2 — CID 112640046

IUPAC3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCCC1(CC)C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C11H17N3O2/c1-3-11(4-2)8(15)13-10-12-6-5-7-14(10)9(11)16/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyNJEJKNHNORPMJT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds2

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

3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (PubChem CID 112640046) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
PubChem CID112640046
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
SMILESCCC1(CC)C(=O)NC2=NCCCN2C1=O
InChIInChI=1S/C11H17N3O2/c1-3-11(4-2)8(15)13-10-12-6-5-7-14(10)9(11)16/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyNJEJKNHNORPMJT-UHFFFAOYSA-N
XLogP0.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
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

5,5-Diethyl-3-methyl-6-methylimino-hexahydro-pyrimidine-2,4-dione
CID 135408857
5,5-Diethyl-1-methyl-2-piperidin-1-ylpyrimidine-4,6-dione
CID 2042527
Barbituric acid, 5,5-diethyl-1-(2,2-dimethylpropyl)-
CID 48430
Barbituric acid, 2-butylimino-5,5-diethyl-
CID 135418885
N-n-Butylbarbital
CID 47143
1-Butyl-5,5-diethyl-6-imino-1,3-diazinane-2,4-dione
CID 2834663
1,5,5-Triethylpyrimidine-2,4,6(1h,3h,5h)-trione
CID 67747
5,5-Diethyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 46481
5,5-Diethyl-2-isopropylimino-1-methyl-hexahydro-pyrimidine-4,6-dione
CID 135410615
6-(butylimino)-5,5-diethyl-3-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 136153914
5,5-Diethyl-3-methyl-6-propylimino-1,3-diazinane-2,4-dione
CID 136267568
2-(Piperidin-1-yl)-5-(propan-2-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397483

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione (CID 112640046) is 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is CCC1(CC)C(=O)NC2=NCCCN2C1=O.
What is the InChIKey of 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is NJEJKNHNORPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-11(4-2)8(15)13-10-12-6-5-7-14(10)9(11)16/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione?
3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 112640046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).