5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

C15H16N4O3 — CID 47004334

IUPAC5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)NC(C)(C)C3=O)nc2c1
InChIInChI=1S/C15H16N4O3/c1-9-4-5-18-11(6-9)16-10(7-12(18)20)8-19-13(21)15(2,3)17-14(19)22/h4-7H,8H2,1-3H3,(H,17,22)
InChIKeyQMMPJDUUQDTWJT-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.83
Rot. Bonds2

About 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 47004334) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID47004334
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)NC(C)(C)C3=O)nc2c1
InChIInChI=1S/C15H16N4O3/c1-9-4-5-18-11(6-9)16-10(7-12(18)20)8-19-13(21)15(2,3)17-14(19)22/h4-7H,8H2,1-3H3,(H,17,22)
InChIKeyQMMPJDUUQDTWJT-UHFFFAOYSA-N
XLogP0.83
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione (CID 47004334) is 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccn2c(=O)cc(CN3C(=O)NC(C)(C)C3=O)nc2c1.
What is the InChIKey of 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is QMMPJDUUQDTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-4-5-18-11(6-9)16-10(7-12(18)20)8-19-13(21)15(2,3)17-14(19)22/h4-7H,8H2,1-3H3,(H,17,22).
What are the key properties of 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47004334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).