7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C10H16N4O — CID 54462037

IUPAC7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILES[H]/N=C1\CC(=O)N2CCN=C2N1CC(C)C
InChIInChI=1S/C10H16N4O/c1-7(2)6-14-8(11)5-9(15)13-4-3-12-10(13)14/h7,11H,3-6H2,1-2H3/b11-8+
InChIKeyXCGSMOUZSLUPJH-DHZHZOJOSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds2

About 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 54462037) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID54462037
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILES[H]/N=C1\CC(=O)N2CCN=C2N1CC(C)C
InChIInChI=1S/C10H16N4O/c1-7(2)6-14-8(11)5-9(15)13-4-3-12-10(13)14/h7,11H,3-6H2,1-2H3/b11-8+
InChIKeyXCGSMOUZSLUPJH-DHZHZOJOSA-N
XLogP0.52
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Isobutyl-5-methylxanthine
CID 129777890
1-methyl-3-(2-methylpropyl)-5H-purine-2,6-dione
CID 24870675
7-Imino-8-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 54095312
7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one
CID 57173555
1,3-diethyl-2-imino-8-iodo-5H-purin-6-one
CID 130269493
7-Amino-2,3-dihydro-2,2-dimethyl-8-(2-methylpropyl)-6-nitrosoimidazo[1,2-a]pyrimidin-5(8H)-one
CID 136359193
7-AMINO-2,3-DIHYDRO-8-(2-METHYLPROPYL)-6-NITROSOIMIDAZO[1,2-a]PYRIMIDIN-5(8H)-ONE
CID 136399303
1,3,7-Trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 153137216
8-tert-butyl-3-ethyl-1-propyl-5H-purine-2,6-dione
CID 153310945
8-(dimethylamino)-3-ethyl-1-propyl-5H-purine-2,6-dione
CID 163663150
1,7-dimethyl-3-(2-methylpropyl)-5H-purin-7-ium-2,6-dione
CID 73096856
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)-5H-purin-7-ium-2,6-dione
CID 73327304

Frequently Asked Questions

What is the IUPAC name of 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 54462037) is 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is [H]/N=C1\CC(=O)N2CCN=C2N1CC(C)C.
What is the InChIKey of 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is XCGSMOUZSLUPJH-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)6-14-8(11)5-9(15)13-4-3-12-10(13)14/h7,11H,3-6H2,1-2H3/b11-8+.
What are the key properties of 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 208.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 54462037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).