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

C9H13N3O2 — CID 112639980

IUPAC6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCC(C)C1C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-5(2)6-7(13)11-9-10-3-4-12(9)8(6)14/h5-6H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyPILGSOOSIKAKFT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.41
Rot. Bonds1

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

6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 112639980) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID112639980
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
SMILESCC(C)C1C(=O)NC2=NCCN2C1=O
InChIInChI=1S/C9H13N3O2/c1-5(2)6-7(13)11-9-10-3-4-12(9)8(6)14/h5-6H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyPILGSOOSIKAKFT-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
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

Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-6-methyl-
CID 152764
6-Ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 45094908
2-(Piperidin-1-yl)-5-(propan-2-yl)pyrimidine-4,6(1H,5H)-dione
CID 71397483
5-ethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 76998598
8-(Dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
CID 78206161
8-Amino-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
CID 78339319
2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
CID 79502045
(3S,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 98085843
(3S,6S)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 98085844
(3R,6R)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 98085845
(3R,6S)-6-ethyl-3-methyl-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5,7-trione
CID 98085846
6-ethyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione
CID 112639971

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione (CID 112639980) is 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is CC(C)C1C(=O)NC2=NCCN2C1=O.
What is the InChIKey of 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is PILGSOOSIKAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)6-7(13)11-9-10-3-4-12(9)8(6)14/h5-6H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione?
6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 195.22 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 112639980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).