5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

C17H20N4O3 — CID 2366895

IUPAC5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O
InChIInChI=1S/C17H20N4O3/c1-4-17(5-2)15(23)21(16(24)19-17)10-12-8-14(22)20-9-11(3)6-7-13(20)18-12/h6-9H,4-5,10H2,1-3H3,(H,19,24)
InChIKeyTYRUAHGPROBKGA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds4

About 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2366895) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID2366895
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O
InChIInChI=1S/C17H20N4O3/c1-4-17(5-2)15(23)21(16(24)19-17)10-12-8-14(22)20-9-11(3)6-7-13(20)18-12/h6-9H,4-5,10H2,1-3H3,(H,19,24)
InChIKeyTYRUAHGPROBKGA-UHFFFAOYSA-N
XLogP1.61
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16349108
5-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-5-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 169687224
(5S,6R)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451305
(5R,6R)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451306
(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451307
(5R,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451308
6-Methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16337964
3-[(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 16360228
1-Butyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4,5-trione
CID 16610816
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
CID 16799380
8-Ethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17391753
3-[(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 18097307

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 2366895) is 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2cc(=O)n3cc(C)ccc3n2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is TYRUAHGPROBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-17(5-2)15(23)21(16(24)19-17)10-12-8-14(22)20-9-11(3)6-7-13(20)18-12/h6-9H,4-5,10H2,1-3H3,(H,19,24).
What are the key properties of 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2366895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).