(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

C14H14FN7O2 — CID 94821877

IUPAC(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2F)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C14H14FN7O2/c1-14(7-4-2-3-5-8(7)15)10(23)22(13(24)21-14)6-9-18-11(16)20-12(17)19-9/h2-5H,6H2,1H3,(H,21,24)(H4,16,17,18,19,20)/t14-/m1/s1
InChIKeyADQWJAFUYLGZBU-CQSZACIVSA-N
MW331.31 g/mol
LogP0.14
Rot. Bonds3

About (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 94821877) has the molecular formula C14H14FN7O2 and a molecular weight of 331.31 g/mol. Its IUPAC name is (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID94821877
Molecular FormulaC14H14FN7O2
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC Name(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2F)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C14H14FN7O2/c1-14(7-4-2-3-5-8(7)15)10(23)22(13(24)21-14)6-9-18-11(16)20-12(17)19-9/h2-5H,6H2,1H3,(H,21,24)(H4,16,17,18,19,20)/t14-/m1/s1
InChIKeyADQWJAFUYLGZBU-CQSZACIVSA-N
XLogP0.14
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95589595
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 75524013
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51096214
4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
(5R)-5-(2-fluorophenyl)-5-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 94815184
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 94821877) is (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccccc2F)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O.
What is the InChIKey of (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ADQWJAFUYLGZBU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14FN7O2/c1-14(7-4-2-3-5-8(7)15)10(23)22(13(24)21-14)6-9-18-11(16)20-12(17)19-9/h2-5H,6H2,1H3,(H,21,24)(H4,16,17,18,19,20)/t14-/m1/s1.
What are the key properties of (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 331.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94821877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).