(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride

C21H27ClN10O6 — CID 175802322

IUPAC(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
SMILESCC(C)(C)N(C[C@]1(c2cnccn2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@]1(c2cnccn2)NC(=O)NC1=O
InChIInChI=1S/C13H17N5O4.C8H9N5O2.ClH/c1-12(2,3)18(11(21)22)7-13(8-6-14-4-5-15-8)9(19)16-10(20)17-13;9-4-8(5-3-10-1-2-11-5)6(14)12-7(15)13-8;/h4-6H,7H2,1-3H3,(H,21,22)(H2,16,17,19,20);1-3H,4,9H2,(H2,12,13,14,15);1H/t13-;8-;/m11./s1
InChIKeyVGOASGAMYXAMRW-HRZNLOCRSA-N
MW550.96 g/mol
LogP-0.82
Rot. Bonds5

About (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride

(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride (PubChem CID 175802322) has the molecular formula C21H27ClN10O6 and a molecular weight of 550.96 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
PubChem CID175802322
Molecular FormulaC21H27ClN10O6
Molecular Weight550.96 g/mol
Exact Mass550.18
IUPAC Name(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
SMILESCC(C)(C)N(C[C@]1(c2cnccn2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@]1(c2cnccn2)NC(=O)NC1=O
InChIInChI=1S/C13H17N5O4.C8H9N5O2.ClH/c1-12(2,3)18(11(21)22)7-13(8-6-14-4-5-15-8)9(19)16-10(20)17-13;9-4-8(5-3-10-1-2-11-5)6(14)12-7(15)13-8;/h4-6H,7H2,1-3H3,(H,21,22)(H2,16,17,19,20);1-3H,4,9H2,(H2,12,13,14,15);1H/t13-;8-;/m11./s1
InChIKeyVGOASGAMYXAMRW-HRZNLOCRSA-N
XLogP-0.82
TPSA234.52 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.96
LogP ≤ 5-0.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride with MolForge

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Related Compounds

(5R)-5-(aminomethyl)-5-cyclopropylimidazolidine-2,4-dione;tert-butyl-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid;hydrochloride
CID 175783361
(5R)-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 88974012
(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 175783183
5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 156823098
(5R)-5-(aminomethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 175783191
3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
CID 54926288
3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
CID 121449056
2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid
CID 175857975
5-(aminomethyl)-5-(2,3,5,6-tetramethylphenyl)imidazolidine-2,4-dione
CID 82302234
1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 67404879
5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione
CID 82283640
(1-pyrazin-2-ylcyclopentyl)methanamine
CID 75357322

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The IUPAC name of (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride (CID 175802322) is (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride.
What is the SMILES notation for (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The canonical SMILES for (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride is CC(C)(C)N(C[C@]1(c2cnccn2)NC(=O)NC1=O)C(=O)O.Cl.NC[C@]1(c2cnccn2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
The InChIKey is VGOASGAMYXAMRW-HRZNLOCRSA-N. The full InChI is InChI=1S/C13H17N5O4.C8H9N5O2.ClH/c1-12(2,3)18(11(21)22)7-13(8-6-14-4-5-15-8)9(19)16-10(20)17-13;9-4-8(5-3-10-1-2-11-5)6(14)12-7(15)13-8;/h4-6H,7H2,1-3H3,(H,21,22)(H2,16,17,19,20);1-3H,4,9H2,(H2,12,13,14,15);1H/t13-;8-;/m11./s1.
What are the key properties of (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride?
(5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride has a molecular weight of 550.96 g/mol, XLogP of -0.82, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-5-pyrazin-2-ylimidazolidine-2,4-dione;tert-butyl-[[(4R)-2,5-dioxo-4-pyrazin-2-ylimidazolidin-4-yl]methyl]carbamic acid;hydrochloride is sourced from PubChem (CID 175802322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).