(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione

C22H20FN7O4 — CID 40799359

IUPAC(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C22H20FN7O4/c1-22(12-2-7-15-16(10-12)34-9-8-33-15)18(31)30(21(32)29-22)11-17-26-19(24)28-20(27-17)25-14-5-3-13(23)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t22-/m1/s1
InChIKeyFFLSUPXDROEPDO-JOCHJYFZSA-N
MW465.45 g/mol
LogP2.07
Rot. Bonds5

About (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 40799359) has the molecular formula C22H20FN7O4 and a molecular weight of 465.45 g/mol. Its IUPAC name is (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
PubChem CID40799359
Molecular FormulaC22H20FN7O4
Molecular Weight465.45 g/mol
Exact Mass465.16
IUPAC Name(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C22H20FN7O4/c1-22(12-2-7-15-16(10-12)34-9-8-33-15)18(31)30(21(32)29-22)11-17-26-19(24)28-20(27-17)25-14-5-3-13(23)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t22-/m1/s1
InChIKeyFFLSUPXDROEPDO-JOCHJYFZSA-N
XLogP2.07
TPSA144.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(5S)-1,3-bis[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 99665915
(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 41105232
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7595168
(5S,6S)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451386
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
2-[[2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 41136858
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 17480412
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 2571204
3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 4780986
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 95301085
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2564712
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 46511245

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione (CID 40799359) is (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O.
What is the InChIKey of (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FFLSUPXDROEPDO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20FN7O4/c1-22(12-2-7-15-16(10-12)34-9-8-33-15)18(31)30(21(32)29-22)11-17-26-19(24)28-20(27-17)25-14-5-3-13(23)4-6-14/h2-7,10H,8-9,11H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t22-/m1/s1.
What are the key properties of (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 465.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40799359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).