(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C21H18N4O4 — CID 7831638

IUPAC(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc(=O)n2c1
InChIInChI=1S/C21H18N4O4/c1-13-6-7-17-22-14(10-18(26)24(17)11-13)12-25-19(27)21(23-20(25)28)8-9-29-16-5-3-2-4-15(16)21/h2-7,10-11H,8-9,12H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyMFXLBYZHYXLRHX-OAQYLSRUSA-N
MW390.40 g/mol
LogP1.73
Rot. Bonds2

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

(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 7831638) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID7831638
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc(=O)n2c1
InChIInChI=1S/C21H18N4O4/c1-13-6-7-17-22-14(10-18(26)24(17)11-13)12-25-19(27)21(23-20(25)28)8-9-29-16-5-3-2-4-15(16)21/h2-7,10-11H,8-9,12H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyMFXLBYZHYXLRHX-OAQYLSRUSA-N
XLogP1.73
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

(4R)-3'-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9105431
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 24618771
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
8-ethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24617027
5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 55435865
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41131523
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 55327776
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 7831638) is (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is Cc1ccc2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc(=O)n2c1.
What is the InChIKey of (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is MFXLBYZHYXLRHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-13-6-7-17-22-14(10-18(26)24(17)11-13)12-25-19(27)21(23-20(25)28)8-9-29-16-5-3-2-4-15(16)21/h2-7,10-11H,8-9,12H2,1H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 390.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 7831638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).