6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione

C9H13N3O2 — CID 112639986

IUPAC6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCCCC1C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-2-3-6-7(13)11-9-10-4-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyNAQXKNMECZJFDO-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds2

About 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione

6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 112639986) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID112639986
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCCCC1C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-2-3-6-7(13)11-9-10-4-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyNAQXKNMECZJFDO-UHFFFAOYSA-N
XLogP-0.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

5-Isobutylmethylxanthine
CID 129698473
Imidazolo[2,3-b]pyrimidine-2,5,7(1H,3H,6H)-trione, 6-butyl-
CID 602059
3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-butylpiperidine-1-carboxamide
CID 57844285
3-(4,5-Dihydroimidazole-1-carbonyl)piperidin-2-one
CID 168237606
5-(3-Methylbutyl)-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397479
5-(2-Methylpropyl)-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397481
5-Butyl-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397482
2-(Piperidin-1-yl)-5-propylpyrimidine-4,6(1H,5H)-dione
CID 71397484
5-Ethyl-2-(piperidin-1-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397486
2-piperazin-1-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998599
1-[2-(Diethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598671
1-[2-(Dimethylamino)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598773

Frequently Asked Questions

What is the IUPAC name of 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (CID 112639986) is 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is CCCC1C(=O)NC2=NCCN2C1=O.
What is the InChIKey of 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is NAQXKNMECZJFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-6-7(13)11-9-10-4-5-12(9)8(6)14/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 195.22 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 112639986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).